Crystallography Open Database

Information card for entry 2200830

2200829 << 2200830 >> 2200831

Preview

No preview available: file is not found.

Coordinates	Coordinates are not available: file is not found.
Structure factors	2200830.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	(2-methoxyphenyl)phenylphosphine oxide
Formula	C13 H13 O2 P
Calculated formula	C13 H13 O2 P
SMILES	P(=O)(c1c(OC)cccc1)c1ccccc1
Title of publication	(2-Methoxyphenyl)phenylphosphine oxide
Authors of publication	Wieczorek, Wanda; Kruszynski, Rafal; Skoweranda, J. Jolanta; Pietrusiewicz, K. Michał
Journal of publication	Acta Crystallographica Section E
Year of publication	2002
Journal volume	58
Journal issue	3
Pages of publication	o229 - o231
a	8.576 ± 0.003 Å
b	8.804 ± 0.004 Å
c	15.921 ± 0.006 Å
α	90°
β	94.69 ± 0.03°
γ	90°
Cell volume	1198.1 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 1 K
Number of distinct elements	4
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	0.0441
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.1175
Weighted residual factors for all reflections included in the refinement	0.1219
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.