Crystallography Open Database

Information card for entry 7200821

7200820 << 7200821 >> 7200822

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Coordinates	7200821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H28 N2 O6 Zn
Calculated formula	C29 H28 N2 O6 Zn
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	11.6056 ± 0.001 Å
b	11.6056 ± 0.001 Å
c	33.043 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	3854.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	178
Hermann-Mauguin space group symbol	P 61 2 2
Hall space group symbol	P 61 2 (0 0 5)
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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