Crystallography Open Database

Information card for entry 7125431

Preview

Coordinates	7125431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 N3 O2
Calculated formula	C22 H27 N3 O2
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	8.4379 ± 0.0002 Å
b	10.5541 ± 0.0003 Å
c	22.3081 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1986.64 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247573 (current)	2020-02-04	cif/ Updating files of 7125431, 7125432 Original log message: Adding full bibliography for 7125431--7125432.cif.	7125431.cif
243755	2019-11-27	cif/ Adding structures of 7125431, 7125432 via cif-deposit CGI script.	7125431.cif