Crystallography Open Database

Information card for entry 7053557

Preview

Coordinates	7053557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H19 Al Cl3 P
Calculated formula	C9 H19 Al Cl3 P
SMILES	C(=[P](C(C)(C)C)\[Al](Cl)(Cl)Cl)\C(C)(C)C
Title of publication	A Lewis acid-mediated synthesis of P-alkyl-substituted phosphaalkenes
Authors of publication	Bates, Joshua I.; Patrick, Brian O.; Gates, Derek P.
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	8
Pages of publication	1660
a	11.0934 ± 0.0008 Å
b	8.8646 ± 0.0006 Å
c	16.1716 ± 0.0011 Å
α	90°
β	108.143 ± 0.002°
γ	90°
Cell volume	1511.23 ± 0.18 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	0.0696
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	1.154
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
180089 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/35.	7053557.cif
93718	2014-01-13	cif/ Adding structures of 7053557, 7053558, 7053559 via cif-deposit CGI script.	7053557.cif