Crystallography Open Database

Information card for entry 2019952

2019951 << 2019952 >> 2019953

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Structure parameters

Chemical name	Triphenyl(3,4,5-trimethoxybenzyl)phosphonium chloride monohydrate
Formula	C28 H30 Cl O4 P
Calculated formula	C28 H30 Cl O4 P
SMILES	[P+](Cc1c(cc(c(c1)OC)OC)OC)(c1ccccc1)(c1ccccc1)c1ccccc1.O.[Cl-]
Title of publication	A sterically congested <i>cis</i>-stilbene and its phosphonium salt precursor
Authors of publication	Shivaprakash, Shivanna; Reddy, G. Chandrasekara; Jasinski, Jerry P.; Millikan, Sean P.; Duff, Courtney E.; Glidewell, Christopher
Journal of publication	Acta Crystallographica Section C
Year of publication	2015
Journal volume	71
Journal issue	6
a	14.566 ± 0.0004 Å
b	15.8567 ± 0.0003 Å
c	11.0472 ± 0.0003 Å
α	90°
β	104.872 ± 0.003°
γ	90°
Cell volume	2466.08 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0477
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181869 (current)	2016-04-06	hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99.	2019952.cif 2019952.hkl
136662	2015-05-17	cif/ hkl/ Adding structures of 2019952, 2019953 via cif-deposit CGI script.	2019952.cif 2019952.hkl