Crystallography Open Database

Information card for entry 4032954

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Structure parameters

Formula	C24 H22 Se6 Si2
Calculated formula	C24 H22 Se6 Si2
SMILES	[se]1c([Si](C)(C)C)cc2c1[se]c1[se]c3c(c21)c1c([se]c2[se]c4[se]c([Si](C)(C)C)cc4c12)cc3
Title of publication	Diseleno[2,3-b:3',2'-d]selenophene and Diseleno[2,3-b:3',2'-d] thiophene: Building Blocks for the Construction of [7]Helicenes.
Authors of publication	Xu, Wan; Wu, Longlong; Fang, Maohong; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	20
Pages of publication	11192 - 11197
a	16.4144 ± 0.0011 Å
b	10.1288 ± 0.0007 Å
c	18.9016 ± 0.0013 Å
α	90°
β	114.719 ± 0.001°
γ	90°
Cell volume	2854.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4032954.cif
202725	2017-11-07	cif/ Updating files of 4032952, 4032953, 4032954 Original log message: Adding full bibliography for 4032952--4032954.cif.	4032954.cif
201831	2017-10-07	cif/ Adding structures of 4032954 via cif-deposit CGI script.	4032954.cif