Crystallography Open Database

Information card for entry 1519173

1519172 << 1519173 >> 1519174

Preview

Coordinates	1519173.cif
External links	PubChem

Structure parameters

Formula	C30 H54 P4
Calculated formula	C30 H54 P4
SMILES	p1(p2c(c(pc2C(C)(C)C)C(C)(C)C)C(C)(C)C)c(c(pc1C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	C30H54P4
Authors of publication	Cameron, James H.; Hibbs, Dai E.; Hursthouse, Michael B.; Lamond, Steven J.
Journal of publication	Crystal Structure Report Archive
Year of publication	1996
Pages of publication	794
a	8.913 ± 0.005 Å
b	13.389 ± 0.008 Å
c	14.059 ± 0.008 Å
α	89.53 ± 0.04°
β	73.95 ± 0.03°
γ	77.08 ± 0.03°
Cell volume	1569 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1586
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	0.663
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1519173.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519173.cif
135489	2015-05-04	cif/ Adding structures of 1519173 via cif-deposit CGI script.	1519173.cif