Abboud K A, Simonsen S H, Lee E F, Mabry T J
Department of Chemistry, University of Texas, Austin 78712.
Acta Crystallogr C. 1991 Apr 15;47 ( Pt 4):782-7. doi: 10.1107/s0108270190008277.
(1): 11 beta,17-Bis(4-bromobenzoyloxy)-9 beta-hydroxy-ent-beyerene, C34H38Br2O5, Mr = 686.5, orthorhombic, P2(1)2(1)2(1), a = 6.1686 (12), b = 14.613 (3), c = 32.935 (7) A, V = 2969 (1) A3, Z = 4, Dx = 1.536 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 27.43 cm-1, F(000) = 1408, T = 173 K, R = 0.0347 and wR = 0.0358 for 3064 reflections [Io greater than or equal to 3 sigma(Io)]. (2): 7 beta,17-Bis(4-bromobenzoyloxy)-9 beta-hydroxy-ent-beyerene, C34H38Br2O5, Mr = 686.5, monoclinic, P2(1), a = 12.6424 (15), b = 6.8353 (12), c = 18.496 (2) A, beta = 101.901 (9) degrees, V = 1564.0 (4) A3, Z = 2, D chi = 1.458 g cm-3, lambda(Mo K alpha) = 0.71073 A, mu = 26.03 cm-1, F(000) = 704, T = 173 A, R = 0.0336 and wR = 0.0361 for 4610 reflections [Io greater than or equal to 3 sigma(Io)]. (3): 17-(4-Bromobenzoyloxy)-9 beta,11 beta-epoxy-7 beta-hydroxy-ent-beyerene, C27H33BrO4, Mr = 501.5, orthorhombic, P2(1)2(1)2(1), a = 6.1315 (7), b = 18.389 (3), c = 21.109 (3) A, V = 2380.0 (6) A3, Z = 4, D chi = 1.399 g cm-3, lambda(Mo K alpha) = 0.71073 A, mu = 17.38 cm-1, F(000) = 1048, T = 198 K, R = 0.0325 and wR = 0.0344 for 2292 reflections [Io greater than or equal to 3 sigma(Io)].(ABSTRACT TRUNCATED AT 250 WORDS)
(1)：11β,17 - 双（4 - 溴苯甲酰氧基）- 9β - 羟基 - 对映贝壳杉烯，C34H38Br2O5，Mr = 686.5，正交晶系，P2(1)2(1)2(1)，a = 6.1686(12)，b = 14.613(3)，c = 32.935(7) Å，V = 2969(1) ų，Z = 4，Dx = 1.536 g cm⁻³，λ(Mo Kα) = 0.71069 Å，μ = 27.43 cm⁻¹，F(000) = 1408，T = 173 K，对于3064个反射[Io≥3σ(Io)]，R = 0.0347且wR = 0.0358。(2)：7β,17 - 双（4 - 溴苯甲酰氧基）- 9β - 羟基 - 对映贝壳杉烯，C34H38Br2O5，Mr = 686.5，单斜晶系，P2(1)，a = 12.6424(15)，b = 6.8353(12)，c = 18.496(2) Å，β = 101.901(9)°，V = 1564.0(4) ų，Z = 2，Dχ = 1.458 g cm⁻³，λ(Mo Kα) = 0.71073 Å，μ = 26.03 cm⁻¹，F(000) = 704，T = 173 A，对于4610个反射[Io≥3σ(Io)]，R = 0.0336且wR = 0.0361。(3)：17 - （4 - 溴苯甲酰氧基）- 9β,11β - 环氧 - 7β - 羟基 - 对映贝壳杉烯，C27H33BrO4，Mr = 501.5，正交晶系，P2(1)2(1)2(1)，a = 6.1315(7)，b = 18.389(3)，c = 21.109(3) Å，V = 2380.0(6) ų，Z = 4，Dχ = 1.399 g cm⁻³，λ(Mo Kα) = 0.71073 Å，μ = 17.38 cm⁻¹，F(000) = 1048，T = 198 K，对于2292个反射[Io≥3σ(Io)]，R = 0.0325且wR = 0.0344。（摘要截断于250字）
