Crystallography Open Database

Information card for entry 1502895

Preview

Coordinates	1502895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Cl4 Ga2 P2
Calculated formula	C36 H42 Cl4 Ga2 P2
SMILES	[Ga](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)CC[P]([Ga](Cl)(Cl)CCC(=C)C)(c1ccccc1)c1ccccc1)CCC(=C)C
Title of publication	Cyclopropylmethylation of benzylic and allylic chlorides with cyclopropylmethylstannane catalyzed by gallium or indium halide.
Authors of publication	Kiyokawa, Kensuke; Yasuda, Makoto; Baba, Akio
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	7
Pages of publication	1520 - 1523
a	9.3669 ± 0.0004 Å
b	18.7512 ± 0.0007 Å
c	11.2466 ± 0.0004 Å
α	90°
β	111.507 ± 0.0013°
γ	90°
Cell volume	1837.82 ± 0.12 Å³
Cell temperature	123.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1502895.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502895.cif
36847	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502895 via cif-deposit CGI script.	1502895.cif