Crystallography Open Database

Information card for entry 7200810

7200809 << 7200810 >> 7200811

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Coordinates	7200810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H28 Cu N2 O6
Calculated formula	C29 H28 Cu N2 O6
Title of publication	Spontaneous resolution of chiral metal mandelates by stereochemical control
Authors of publication	Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	6
Pages of publication	967
a	11.545 ± 0.0001 Å
b	11.545 ± 0.0001 Å
c	32.9386 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	3802.1 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for all reflections	0.1088
Residual factor for significantly intense reflections	0.0972
Weighted residual factors for significantly intense reflections	0.2189
Weighted residual factors for all reflections included in the refinement	0.2267
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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