Crystallography Open Database

Information card for entry 4129743

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Coordinates	4129743.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	HexOMEind-DSM
Formula	C72 H108 O2 Si2
Calculated formula	C72 H108 O2 Si2
Title of publication	Coplanar Oligo(p-phenylenedisilenylene)s as Si═Si Analogues of Oligo(p-phenylenevinylene)s: Evidence for Extended π-Conjugation through the Carbon and Silicon π-Frameworks.
Authors of publication	Li, Liangchun; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	47
Pages of publication	15026 - 15035
a	10.7674 ± 0.0019 Å
b	11.3808 ± 0.0018 Å
c	14.553 ± 0.003 Å
α	79.962 ± 0.006°
β	87.97 ± 0.008°
γ	66.481 ± 0.005°
Cell volume	1609 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.1535
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
240409 (current)	2019-11-25	cif/ Adding structures of 4129743 via cif-deposit CGI script.	4129743.cif