Crystallography Open Database

Information card for entry 1504870

Preview

Coordinates	1504870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 B P
Calculated formula	C17 H16 B P
SMILES	[P@]1([BH3])(Cc2cccc3cccc1c23)c1ccccc1
Title of publication	Platinum-catalyzed enantioselective tandem alkylation/arylation of primary phosphines. Asymmetric synthesis of P-stereogenic 1-phosphaacenaphthenes.
Authors of publication	Anderson, Brian J.; Guino-o, Marites A; Glueck, David S.; Golen, James A.; DiPasquale, Antonio G.; Liable-Sands, Louise M; Rheingold, Arnold L.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	20
Pages of publication	4425 - 4428
a	9.9633 ± 0.001 Å
b	12.6914 ± 0.0012 Å
c	23.225 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2936.8 ± 0.5 Å³
Cell temperature	208 ± 2 K
Ambient diffraction temperature	208 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0974
Weighted residual factors for all reflections included in the refinement	0.1097
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504870.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504870.cif
42425	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504866, 1504867, 1504868, 1504869, 1504870, 1504871 via cif-deposit CGI script.	1504870.cif