Crystallography Open Database

Information card for entry 1504868

Preview

Coordinates	1504868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 B Br P
Calculated formula	C17 H17 B Br P
SMILES	C(c1cccc2cccc(c12)Br)[PH](c1ccccc1)[BH3]
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	17.726 ± 0.003 Å
b	5.6695 ± 0.0011 Å
c	15.75 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1582.8 ± 0.5 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	1504868.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504868.cif
42425	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504866, 1504867, 1504868, 1504869, 1504870, 1504871 via cif-deposit CGI script.	1504868.cif