Crystallography Open Database

Information card for entry 7249682

Preview

Coordinates	7249682.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	L-leucinium D-di-p-toluoyltartrate methanol solvate hydrate
Formula	C26.36 H33.93 N O11.11
Calculated formula	C26.357 H33.928 N O11.107
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
a	15.8758 ± 0.0003 Å
b	13.8581 ± 0.0003 Å
c	27.1887 ± 0.0006 Å
α	90°
β	106.2 ± 0.002°
γ	90°
Cell volume	5744.2 ± 0.2 Å³
Cell temperature	138.15 K
Ambient diffraction temperature	138.15 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1778
Weighted residual factors for all reflections included in the refinement	0.1832
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296832 (current)	2024-12-11	cif/ Adding structures of 7249682, 7249683 via cif-deposit CGI script.	7249682.cif