Crystallography Open Database

Information card for entry 7153251

Preview

Coordinates	7153251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H34 O5 P2
Calculated formula	C23 H34 O5 P2
SMILES	[P@@](=O)(O[C@H]([P@@](=O)(OCC)c1ccccc1)CC(C)C)(c1ccccc1)[C@@H](O)C(C)C.[P@](=O)(O[C@@H]([P@](=O)(OCC)c1ccccc1)CC(C)C)(c1ccccc1)[C@H](O)C(C)C
Title of publication	A synthesis of oligomeric alpha-hydroxy phenylphosphinates and a study of the conformational preferences of the dimers.
Authors of publication	Afarinkia, Kamyar; Royappa, Martin; Scowen, Ian J.; Steed, Jonathan W.; Yu, Hiu-Wan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2010
Journal volume	8
Journal issue	3
Pages of publication	600 - 606
a	9.1386 ± 0.0002 Å
b	11.9523 ± 0.0002 Å
c	12.7388 ± 0.0003 Å
α	113.903 ± 0.001°
β	96.494 ± 0.001°
γ	91.658 ± 0.001°
Cell volume	1259.64 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
180318 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/32.	7153251.cif
92525	2014-01-12	cif/ Adding structures of 7153250, 7153251, 7153252, 7153253 via cif-deposit CGI script.	7153251.cif