Crystallography Open Database

Information card for entry 4510741

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Structure parameters

Formula	C26 H35 N5 O4
Calculated formula	C26 H35 N5 O4
SMILES	N(C(=O)CCCC)([C@@H](C(C)C)C(=O)O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1.CCO
Title of publication	Highly Crystalline Forms of Valsartan with Superior Physicochemical Stability
Authors of publication	Wang, Jian-Rong; Wang, Xiaojuan; Lu, Liye; Mei, Xuefeng
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	7
Pages of publication	3261
a	10.2475 ± 0.0003 Å
b	12.7244 ± 0.0003 Å
c	19.7838 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2579.67 ± 0.12 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 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	0.0274
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
301843 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure.	4510741.cif
179654	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/07.	4510741.cif
113142	2014-05-08	cif/ Adding structures of 4510741 via cif-deposit CGI script.	4510741.cif