Crystallography Open Database

Information card for entry 4510724

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Structure parameters

Formula	C32 H46 N20 O
Calculated formula	C32 H46 N20 O
Title of publication	Crystal Engineering with Modified 2-Aminopurine and Group 12 Metal Ions
Authors of publication	Mohapatra, Balaram; Verma, Sandeep
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	7
Pages of publication	2716
a	19.289 ± 0.005 Å
b	8.147 ± 0.005 Å
c	23.911 ± 0.005 Å
α	90°
β	106.538 ± 0.005°
γ	90°
Cell volume	3602 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.108
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1526
Weighted residual factors for all reflections included in the refinement	0.1967
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
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.	4510724.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.	4510724.cif
113130	2014-05-08	cif/ Adding structures of 4510720, 4510721, 4510722, 4510723, 4510724 via cif-deposit CGI script.	4510724.cif