Crystallography Open Database

Information card for entry 1569288

Preview

Coordinates	1569288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H11 N O4
Calculated formula	C4 H11 N O4
Title of publication	Enzymatic hydrolysis of l-azetidine-2-carboxylate ring opening
Authors of publication	Xu, Xuexia; Yang, Qin; Wang, Lanteng; Zheng, Jie; Gu, Yang; Xing, Xiwen; Zhou, Jiahai
Journal of publication	Catalysis Science & Technology
Year of publication	2023
Journal volume	13
Journal issue	13
Pages of publication	3953 - 3962
a	5.8966 ± 0.0005 Å
b	14.2652 ± 0.0011 Å
c	7.4117 ± 0.0006 Å
α	90°
β	98.338 ± 0.002°
γ	90°
Cell volume	616.85 ± 0.09 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 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	0.0338
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.0842
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
284826 (current)	2023-07-05	cif/ Updating files of 1569288 Original log message: Adding full bibliography for 1569288.cif.	1569288.cif
284536	2023-06-29	cif/ Adding structures of 1569288 via cif-deposit CGI script.	1569288.cif