Crystallography Open Database

Information card for entry 7131562

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Coordinates	7131562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 N2 O8
Calculated formula	C30 H28 N2 O8
Title of publication	Overcoming a solid solution system on chiral resolution: combining crystallization and enantioselective dissolution.
Authors of publication	Oketani, Ryusei; Shiohara, Koki; Hisaki, Ichiro
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	41
Pages of publication	6175 - 6178
a	7.9768 ± 0.0002 Å
b	29.4996 ± 0.0006 Å
c	23.6631 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5568.2 ± 0.2 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	4
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0963
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1557
Weighted residual factors for all reflections included in the refinement	0.1664
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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