Crystallography Open Database

Information card for entry 7250592

Preview

Coordinates	7250592.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	15xia
Formula	C16 H22 F N O3
Calculated formula	C16 H22 F N O3
Title of publication	Enzymatic synthesis of four stereoisomers of 3-substituted-4-hydroxypiperidines by carbonyl reductase-catalyzed reduction
Authors of publication	Chen, Jing; Chen, Xi; Song, Jinsong; Zhang, Hongliu; Yang, Hongjiang; Feng, Jinhui; Wu, Qiaqing; Zhu, Dunming
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	26
Pages of publication	21133 - 21141
a	6.08342 ± 0.00006 Å
b	12.36031 ± 0.00013 Å
c	21.0393 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1582.01 ± 0.03 Å³
Cell temperature	99.9 ± 0.4 K
Ambient diffraction temperature	99.9 ± 0.4 K
Number of distinct elements	5
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	0.0291
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	0.7816
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300241 (current)	2025-06-27	cif/ Adding structures of 7250590, 7250591, 7250592, 7250593, 7250594 via cif-deposit CGI script.	7250592.cif