Crystallography Open Database

Information card for entry 4082464

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Structure parameters

Formula	C33 H46 B P2 Rh
Calculated formula	C33 H46 B P2 Rh
SMILES	[Rh]1234([P]5([C@H](C)CC[C@H]5C)C[B](c5ccccc5)(c5ccccc5)C[P]51[C@H](C)CC[C@H]5C)[CH]1=[CH]2C2[CH]3=[CH]4C1C2
Title of publication	Asymmetric Rhodium(I)-Catalyzed C–C Activations with Zwitterionic Bis-phospholane Ligands
Authors of publication	Parker, Evelyne; Cramer, Nicolai
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	3
Pages of publication	780
a	10.37956 ± 0.00008 Å
b	15.57637 ± 0.00013 Å
c	19.28434 ± 0.00014 Å
α	90°
β	90°
γ	90°
Cell volume	3117.81 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0233
Residual factor for significantly intense reflections	0.0206
Weighted residual factors for significantly intense reflections	0.0511
Weighted residual factors for all reflections included in the refinement	0.0522
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4082464.cif
178713	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/24.	4082464.cif
104412	2014-03-11	cif/ Adding structures of 4082463, 4082464 via cif-deposit CGI script.	4082464.cif