Crystallography Open Database

Information card for entry 7125432

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Coordinates	7125432.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H28 N4 O4
Calculated formula	C19 H28 N4 O4
Title of publication	Direct enantioselective Mannich reactions of α-azido cyclic ketones: asymmetric construction of chiral azides possessing an α-quaternary stereocenter.
Authors of publication	Ye, Xueqian; Pan, Yongkai; Yang, Xiaoyu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2019
Journal volume	56
Journal issue	1
Pages of publication	98 - 101
a	12.1314 ± 0.0004 Å
b	10.4464 ± 0.0004 Å
c	15.7145 ± 0.0006 Å
α	90°
β	95.952 ± 0.002°
γ	90°
Cell volume	1980.75 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0625
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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