Crystallography Open Database

Information card for entry 2218724

Preview

Structure parameters

Chemical name	2-[Bis(3,5-dimethylphenyl)phosphoryl]propan-2-ol hemihydrate
Formula	C19 H26 O2.5 P
Calculated formula	C19 H25.5 O2.5 P
Title of publication	2-[Bis(3,5-dimethylphenyl)phosphoryl]propan-2-ol hemihydrate
Authors of publication	Chu, Qing-Yan; Liu, Shan; Liu, Yuan-Yuan; Chen, Wei; Zhu, Hong-Jun
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	7
Pages of publication	o1231
a	30.129 ± 0.006 Å
b	6.283 ± 0.0013 Å
c	20.192 ± 0.004 Å
α	90°
β	106.76 ± 0.03°
γ	90°
Cell volume	3660 ± 1.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1252
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.205
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2218724.html