Crystallography Open Database

Information card for entry 8104799

Preview

Coordinates	8104799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 N S Si
Calculated formula	C23 H17 N S Si
SMILES	[Si@H]1(c2c3c(n(C)cc3c3ccccc13)ccc2)c1cc2ccsc2cc1
Title of publication	Crystal structure of (R)-6-(benzo[b]thiophen-5-yl)-2-methyl-2,6-dihydrobenzo [5,6] silino[4,3,2-cd]indole, C23H17NSSi
Authors of publication	Kong, Yuan-Fang; Mu, De-Long
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	3
Pages of publication	679 - 681
a	7.7862 ± 0.0005 Å
b	9.0728 ± 0.0006 Å
c	25.3797 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1792.9 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0778
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
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
273799 (current)	2022-03-18	cif/ Adding structures of 8104799 via cif-deposit CGI script.	8104799.cif