Crystallography Open Database

Information card for entry 7233236

Preview

Coordinates	7233236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 O6
Calculated formula	C20 H20 O6
Title of publication	Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol
Authors of publication	Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	34
Pages of publication	5129
a	15.001 ± 0.002 Å
b	5.5536 ± 0.0005 Å
c	21.455 ± 0.003 Å
α	90°
β	95.23 ± 0.002°
γ	90°
Cell volume	1780 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1321
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.1973
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
223717 (current)	2019-11-07	cif/ Updating files of 7233236, 7233237, 7233238, 7233239, 7233240, 7233241, 7233242 Original log message: Adding full bibliography for 7233236--7233242.cif.	7233236.cif
217220	2019-07-24	cif/ Adding structures of 7233236, 7233237, 7233238, 7233239, 7233240, 7233241, 7233242 via cif-deposit CGI script.	7233236.cif