Crystallography Open Database

Information card for entry 7156527

Preview

Coordinates	7156527.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	KH-114
Formula	C21 H18 Cl2 O3 S
Calculated formula	C21 H18 Cl2 O3 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	16.0174 ± 0.0011 Å
b	15.9817 ± 0.001 Å
c	7.3482 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1881 ± 0.2 Å³
Cell temperature	106 ± 2 K
Ambient diffraction temperature	106 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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.	7156527.cif
211588	2018-10-23	cif/ Adding structures of 7156524, 7156525, 7156526, 7156527, 7156528, 7156529 via cif-deposit CGI script.	7156527.cif