Crystallography Open Database

Information card for entry 7249836

Preview

Coordinates	7249836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 N6 O12
Calculated formula	C40 H42 N6 O12
Title of publication	Innovative aminoglutethimide co-crystals: synthesis, characterization, and insights into molecular interactions
Authors of publication	Qi, Ying; Liu, Yang; Li, Xia; Xu, Juan; Zhang, Qi
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	8
Pages of publication	1146 - 1156
a	7.1215 ± 0.0006 Å
b	13.7391 ± 0.0012 Å
c	21.469 ± 0.0019 Å
α	76.347 ± 0.003°
β	85.043 ± 0.003°
γ	87.487 ± 0.003°
Cell volume	2033 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0964
Residual factor for significantly intense reflections	0.0847
Weighted residual factors for significantly intense reflections	0.2458
Weighted residual factors for all reflections included in the refinement	0.2587
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298179 (current)	2025-03-04	cif/ Updating files of 7249835, 7249836, 7249837 Original log message: Adding full bibliography for 7249835--7249837.cif.	7249836.cif
297464	2025-01-25	cif/ Adding structures of 7249835, 7249836, 7249837 via cif-deposit CGI script.	7249836.cif