Crystallography Open Database

Information card for entry 4088403

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Structure parameters

Chemical name	(Z)-N-(1-(((E)-2,2-dimethyl-1-(phenylimino)propyl)(phenyl)phosphino)- 2,2-dimethylpropylidene)-2,4,6-trimethylaniline
Formula	C31 H39 N2 P
Calculated formula	C31 H39 N2 P
SMILES	P(/C(=N/c1ccccc1)C(C)(C)C)(C(=N\c1c(cc(cc1C)C)C)/C(C)(C)C)c1ccccc1
Title of publication	Bis(imino)phosphanes: Synthesis and Coordination Chemistry
Authors of publication	van Dijk, Tom; Rong, Mark K.; Borger, Jaap E.; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	5
Pages of publication	827
a	14.081 ± 0.001 Å
b	11.9795 ± 0.0011 Å
c	15.955 ± 0.0014 Å
α	90°
β	90.047 ± 0.007°
γ	90°
Cell volume	2691.3 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
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.	4088403.cif
237548	2019-11-24	cif/ Adding structures of 4088403, 4088404 via cif-deposit CGI script.	4088403.cif