Crystallography Open Database

Information card for entry 1569178

Preview

Coordinates	1569178.cif
Original IUCr paper	HTML

Structure parameters

Common name	5-[(4-Methylphenyl)sulfonyl]-1-phenylthiopyrano[4,3-<i>b</i>]indole-3(5<i>H</i>)-thione dichloromethane monosolvate
Formula	C25 H19 Cl2 N O2 S3
Calculated formula	C25 H19 Cl2 N O2 S3
Title of publication	5-[(4-Methylphenyl)sulfonyl]-1-phenylthiopyrano[4,3-b]indole-3(5H)-thione dichloromethane monosolvate
Authors of publication	Dassonneville, Benjamin; Schollmeyer, Dieter; Detert, Heiner
Journal of publication	IUCrData
Year of publication	2023
Journal volume	8
Journal issue	5
a	9.8368 ± 0.0014 Å
b	10.2783 ± 0.0015 Å
c	13.2857 ± 0.0018 Å
α	97.689 ± 0.009°
β	108.305 ± 0.008°
γ	108.103 ± 0.008°
Cell volume	1171.6 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1065
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283747 (current)	2023-05-13	cif/ Adding structures of 1569178 via cif-deposit CGI script.	1569178.cif