Crystallography Open Database

Information card for entry 4122058

4122057 << 4122058 >> 4122059

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Structure parameters

Formula	C84 H100 F24 N4 O20
Calculated formula	C84 H100 F24 N4 O20
Title of publication	Regiodivergent Kinetic Resolution of Terminal and Internal rac-Aziridines with Malonates under Dinuclear Schiff Base Catalysis.
Authors of publication	Xu, Yingjie; Kaneko, Keiichi; Kanai, Motomu; Shibasaki, Masakatsu; Matsunaga, Shigeki
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	25
Pages of publication	9190 - 9194
a	25.1348 ± 0.0005 Å
b	25.1348 ± 0.0005 Å
c	25.1011 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	13733.3 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.1111
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.1849
Weighted residual factors for all reflections included in the refinement	0.2331
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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