Crystallography Open Database

Information card for entry 2219381

2219380 << 2219381 >> 2219382

Preview

Structure parameters

Formula	C21 H21 P
Calculated formula	C21 H21 P
SMILES	Cc1ccc(cc1)P(c1ccc(cc1)C)c1ccc(cc1)C
Title of publication	Tri-<i>p</i>-tolylphosphine
Authors of publication	Wang, Hao; Wang, Yi-Bin; Liu, Bo-Nian; Tang, Shi-Gui; Wei, Ping
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	9
Pages of publication	o1783
a	12.6562 ± 0.0018 Å
b	12.6562 ± 0.0018 Å
c	19.696 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	2732.2 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0993
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1529
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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/2219381.html