Crystallography Open Database

Information card for entry 7249852

Preview

Coordinates	7249852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H14 N3 O8 P
Calculated formula	C9 H14 N3 O8 P
Title of publication	Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates
Authors of publication	Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	8
Pages of publication	1174 - 1184
a	8.338 ± 0.002 Å
b	31.318 ± 0.007 Å
c	4.8912 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1277.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.1215
Residual factor for significantly intense reflections	0.1197
Weighted residual factors for significantly intense reflections	0.3168
Weighted residual factors for all reflections included in the refinement	0.3178
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298181 (current)	2025-03-04	cif/ Updating files of 7249850, 7249851, 7249852, 7249853, 7249854, 7249855, 7249856, 7249857, 7249858 Original log message: Adding full bibliography for 7249850--7249858.cif.	7249852.cif
297505	2025-01-29	cif/ Adding structures of 7249850, 7249851, 7249852, 7249853, 7249854, 7249855, 7249856, 7249857, 7249858 via cif-deposit CGI script.	7249852.cif