Crystallography Open Database

Information card for entry 7249683

Preview

Coordinates	7249683.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	D-leucinium D-di-p-toluoyltartrate semihydrate
Formula	C52 H64 N2 O21
Calculated formula	C52 H64 N2 O21
Title of publication	Chiral resolution of dl-leucine via salifying tartaric acid derivatives
Authors of publication	Shi, Linlin; Guo, Zhiqiang; Luo, Xiaofang; Hou, Lingli; Wu, Hongchang; De, Ruiyu; Huang, Xin; Wang, Ting; Hao, Hongxun; Wang, Na; Zhou, Lina
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	2
Pages of publication	155 - 163
a	27.9114 ± 0.0002 Å
b	12.8536 ± 0.0001 Å
c	15.9008 ± 0.0001 Å
α	90°
β	106.049 ± 0.001°
γ	90°
Cell volume	5482.27 ± 0.07 Å³
Cell temperature	128.15 K
Ambient diffraction temperature	128.15 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
298193 (current)	2025-03-04	cif/ Updating files of 7249682, 7249683 Original log message: Adding full bibliography for 7249682--7249683.cif.	7249683.cif
296832	2024-12-11	cif/ Adding structures of 7249682, 7249683 via cif-deposit CGI script.	7249683.cif