Crystallography Open Database

Information card for entry 7208508

7208507 << 7208508 >> 7208509

Preview

Structure parameters

Formula	C28 H52 N5 O7 P
Calculated formula	C28 H52 N5 O7 P
SMILES	P(=O)([O-])(O)O.O.[N+](CCCC)(CCCC)(CCCC)CCCC.Nc1c(NCc2ncccc2)cc(N(=O)=O)cc1
Title of publication	Reduced Schiff-base assisted novel dihydrogenphosphate–water polymer
Authors of publication	Dalapati, Sasanka; Alam, Md. Akhtarul; Jana, Sankar; Guchhait, Nikhil
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	18
Pages of publication	6029
a	9.602 ± 0.005 Å
b	13.194 ± 0.005 Å
c	15.104 ± 0.005 Å
α	113.014 ± 0.005°
β	94.332 ± 0.005°
γ	105.702 ± 0.005°
Cell volume	1659.6 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.153
Weighted residual factors for all reflections included in the refinement	0.167
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
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.	7208508.cif
180416	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 7/20/85.	7208508.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208508.cif
66477	2012-09-11	cif/ Adding structures of 7208505, 7208506, 7208507, 7208508 via cif-deposit CGI script.	7208508.cif