Crystallography Open Database

Information card for entry 7156528

Preview

Coordinates	7156528.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	KH-116-Z
Formula	C21 H18 Cl2 O4 S
Calculated formula	C21 H18 Cl2 O4 S
Title of publication	A hemithioindigo molecular motor for metal surface attachment.
Authors of publication	Hoffmann, Kerstin; Mayer, Peter; Dube, Henry
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	7
Pages of publication	1979 - 1983
a	9.3294 ± 0.0002 Å
b	21.9444 ± 0.0006 Å
c	10.2119 ± 0.0003 Å
α	90°
β	104.342 ± 0.001°
γ	90°
Cell volume	2025.51 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0603
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
225207 (current)	2019-11-08	cif/ Updating files of 7156524, 7156525, 7156526, 7156527, 7156528, 7156529 Original log message: Adding full bibliography for 7156524--7156529.cif.	7156528.cif
211588	2018-10-23	cif/ Adding structures of 7156524, 7156525, 7156526, 7156527, 7156528, 7156529 via cif-deposit CGI script.	7156528.cif