Crystallography Open Database

Information card for entry 7248512

Preview

Coordinates	7248512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H33 N O4
Calculated formula	C25 H33 N O4
SMILES	O=C1CCCC[C@@H]1[C@H](Nc1ccc(OC)cc1)C(=O)OC12CC3CC(C1)CC(C2)C3
Title of publication	Ethanol-assisted mechanochemical asymmetric cross-dehydrogenative coupling reaction with recoverable chiral amine/NaCl for accessing chiral α-alkyl α-glycine derivatives
Authors of publication	Yu, Jingbo; Chen, Hong; Zhang, Ziwen; Fang, Yuxin; Ying, Tao; Su, Weike
Journal of publication	Green Chemistry
Year of publication	2024
Journal volume	26
Journal issue	11
Pages of publication	6570 - 6577
a	6.8247 ± 0.0001 Å
b	15.1975 ± 0.0003 Å
c	20.6745 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2144.33 ± 0.07 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.0464
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
293171 (current)	2024-07-05	cif/ Updating files of 7248512 Original log message: Adding full bibliography for 7248512.cif.	7248512.cif
291341	2024-04-24	cif/ Adding structures of 7248512 via cif-deposit CGI script.	7248512.cif