Crystallography Open Database

Information card for entry 7038612

Preview

Structure parameters

Formula	C34 H48 B F4 N O P Rh
Calculated formula	C34 H48 B F4 N O P Rh
SMILES	[Rh]1234([P@@]([C@@H](c5ccccc5)C(C5OC[C@@H]([N]1=5)C(C)C)(C)C)(c1c(C)cc(cc1C)C)C)[CH]1CC[CH]2=[CH]3CC[CH]4=1.[B](F)(F)(F)[F-]
Title of publication	Phosphaalkene-oxazoline copolymers with styrene as chiral ligands for rhodium(i).
Authors of publication	Serin, Spencer C.; Dake, Gregory R.; Gates, Derek P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	13
Pages of publication	5659 - 5666
a	10.0034 ± 0.0005 Å
b	17.8518 ± 0.0009 Å
c	17.9626 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3207.7 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	8
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	0.0309
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.0578
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
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
301849 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure.	7038612.cif
181639	2016-04-05	cif/ Updating files of 7038612 Original log message: Adding full bibliography for 7038612.cif.	7038612.cif
177079	2016-03-01	cif/ Adding structures of 7038612 via cif-deposit CGI script.	7038612.cif