Crystallography Open Database

Information card for entry 4312014

4312013 << 4312014 >> 4312015

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Structure parameters

Formula	C29 H49 Br N3 P
Calculated formula	C29 H49 Br N3 P
SMILES	BrP(=Nc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C
Title of publication	Ylidene→Iminophosphine Coordination Complexes and Reversible Dissociation of Dichlorophosphetidines
Authors of publication	Neil Burford; C. Adam Dyker; Andrew D. Phillips; Heather A. Spinney; Andreas Decken; Robert McDonald; Paul J. Ragogna; Arnold L. Rheingold
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7502 - 7507
a	8.531 ± 0.005 Å
b	9.659 ± 0.005 Å
c	21.359 ± 0.011 Å
α	77.668 ± 0.011°
β	79.791 ± 0.01°
γ	64.43 ± 0.01°
Cell volume	1543.8 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1208
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1517
Goodness-of-fit parameter for all reflections included in the refinement	0.953
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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