Crystallography Open Database

Information card for entry 7207563

7207562 << 7207563 >> 7207564

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Structure parameters

Formula	C20 H24 N2 O6
Calculated formula	C20 H24 N2 O6
SMILES	c1(cc(ccc1)C1C(=C(C)NC(=C1C(=O)OC)C)C(=O)OCC(C)C)N(=O)=O
Title of publication	Structures and characterization of m-nisoldipine polymorphs
Authors of publication	Yang, Caiqin; Zhang, Zhenwei; Zeng, Yanli; Wang, Jing; Wang, Yongli; Ma, Baoqing
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	7
Pages of publication	2589
a	7.4965 ± 0.0002 Å
b	11.4692 ± 0.0004 Å
c	12.3648 ± 0.0005 Å
α	68.093 ± 0.002°
β	88.655 ± 0.002°
γ	81.853 ± 0.002°
Cell volume	975.89 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1149
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1872
Weighted residual factors for all reflections included in the refinement	0.2265
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301863 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure.	7207563.cif
180406	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/75.	7207563.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207563.cif
52036	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7207563 via cif-deposit CGI script.	7207563.cif