Crystallography Open Database

Information card for entry 1505811

Preview

Coordinates	1505811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H36 B2 P2
Calculated formula	C31 H36 B2 P2
SMILES	[P]([BH3])([C@@H]1[C@@H]2C[C@H]([P]([BH3])(c3ccccc3)c3ccccc3)[C@H](C1)C2)(c1ccccc1)c1ccccc1
Title of publication	Rhodium-Catalyzed Asymmetric Conjugate Additions of Boronic Acids to enones using DIPHONANE: a novel chiral bisphosphine ligand.
Authors of publication	Vandyck, Koen; Matthys, Bavo; Willen, Mario; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Johan
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	3
Pages of publication	363 - 366
a	9.015 ± 0.006 Å
b	9.235 ± 0.006 Å
c	32.8 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	2731 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	373 ± 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	0.0629
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	0.927
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1505811.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505811.cif
47757	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505810, 1505811 via cif-deposit CGI script.	1505811.cif