Crystallography Open Database

Information card for entry 4339641

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Structure parameters

Formula	C25 H36 N O2.7 P
Calculated formula	C25 H36 N O2.7 P
Title of publication	Molecularly nonstoichiometric crystals in phosphorus compounds.
Authors of publication	Chakravarty, Manab; Suresh, R. Rama; Swamy, K. C. Kumara
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9819 - 9826
a	13.4052 ± 0.0009 Å
b	23.054 ± 0.0016 Å
c	7.9639 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2461.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1559
Weighted residual factors for all reflections included in the refinement	0.1673
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4339641.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4339641.cif
117445	2014-06-15	cif/ Adding structures of 4339638, 4339639, 4339640, 4339641, 4339642, 4339643, 4339644, 4339645, 4339646, 4339647, 4339648 via cif-deposit CGI script.	4339641.cif