Crystallography Open Database

Information card for entry 7233238

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Coordinates	7233238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H25 Cd N2 O6
Calculated formula	C30 H25 Cd N2 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	16.0435 ± 0.0014 Å
b	11.6969 ± 0.0008 Å
c	18.498 ± 0.0015 Å
α	90°
β	113.454 ± 0.002°
γ	90°
Cell volume	3184.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.0789
Goodness-of-fit parameter for all reflections included in the refinement	1.198
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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