Crystallography Open Database

Information card for entry 4339646

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Structure parameters

Formula	C24 H36 N2 O3.08 P2
Calculated formula	C24 H36 N2 O3.08 P2
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	20.381 ± 0.002 Å
b	8.2365 ± 0.0008 Å
c	16.2347 ± 0.0016 Å
α	90°
β	102.806 ± 0.002°
γ	90°
Cell volume	2657.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1115
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.146
Weighted residual factors for all reflections included in the refinement	0.167
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
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.	4339646.cif
179499	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/96.	4339646.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.	4339646.cif