Crystallography Open Database

Information card for entry 7250590

Preview

Coordinates	7250590.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	0320-6
Formula	C16 H23 N O3
Calculated formula	C16 H23 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	5.7962 ± 0.0003 Å
b	9.4231 ± 0.0004 Å
c	13.7625 ± 0.0006 Å
α	90°
β	101.43 ± 0.005°
γ	90°
Cell volume	736.77 ± 0.06 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 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	0.0383
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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.	7250590.cif