Crystallography Open Database

Information card for entry 4303119

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Structure parameters

Formula	C20 H23 P
Calculated formula	C20 H23 P
SMILES	Pc1c(cc(cc1C(C)C)C#Cc1ccccc1)C(C)C
Title of publication	Phosphines Bearing Alkyne Substituents: Synthesis and Hydrophosphination Polymerization
Authors of publication	Sharonna Greenberg; Douglas W. Stephan
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8623 - 8631
a	12.8438 ± 0.0018 Å
b	10.7033 ± 0.0015 Å
c	13.4456 ± 0.0019 Å
α	90°
β	103.084 ± 0.002°
γ	90°
Cell volume	1800.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
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	0.0722
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4303119.cif
179069	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/31.	4303119.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303119.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303119.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303119.cif