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1,4,5,8-四正丁基蒽

1,4,5,8-Tetra-n-butyl-anthracene.

作者信息

Kitamura Chitoshi, Tsukuda Hideki, Kawase Takeshi, Kobayashi Takashi, Naito Hiroyoshi

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 15;66(Pt 10):o2565. doi: 10.1107/S1600536810035877.

DOI:10.1107/S1600536810035877
PMID:21587550
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983141/
Abstract

The mol-ecule of the title compound, C(30)H(42), occupies a special position on an inversion center. The four butyl side chains have all-trans planar conformations, and the alkyl planes are nearly orthogonal to the anthracene plane [C-C-C-C torsion angles of 79.6 (2) and 78.2 (2)°]. The overall mol-ecule has a stair-like shape with the n-butyl groups at the 1 and 8 positions extending towards the same side of the anthracene plane. In the crystal structure, mol-ecules adopt a slipped-parallel arrangement without π-π stacking.

摘要

标题化合物C(30)H(42)的分子位于一个反演中心上的特殊位置。四个丁基侧链均具有全反式平面构象,且烷基平面几乎与蒽平面正交[C-C-C-C扭转角为79.6 (2)和78.2 (2)°]。整个分子呈阶梯状,1位和8位的正丁基朝向蒽平面的同一侧延伸。在晶体结构中,分子采用滑移平行排列,不存在π-π堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4020/2983141/3a8690e907d1/e-66-o2565-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4020/2983141/828688cdd6f5/e-66-o2565-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4020/2983141/3a8690e907d1/e-66-o2565-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4020/2983141/828688cdd6f5/e-66-o2565-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4020/2983141/3a8690e907d1/e-66-o2565-fig2.jpg

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本文引用的文献

1
Synthesis and crystallochromy of 1,4,7,10-tetraalkyltetracenes: tuning of solid-state optical properties of tetracenes by alkyl side-chain length.1,4,7,10-四烷基四苯并芘的合成与结晶变色:通过烷基侧链长度调节四苯并芘的固态光学性质。
Chemistry. 2010 Jan 18;16(3):890-8. doi: 10.1002/chem.200901668.
2
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
3
Solid-state packing of conjugated oligomers: from pi-stacks to the herringbone structure.
共轭低聚物的固态堆积:从π-堆积到鱼骨结构。
J Am Chem Soc. 2004 Apr 7;126(13):4318-28. doi: 10.1021/ja0397916.