Crystallography Open Database

Information card for entry 2236986

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Structure parameters

Chemical name	Dicyclohexylbis(naphthalen-1-ylmethyl)phosphonium chloride chloroform disolvate
Formula	C36 H42 Cl7 P
Calculated formula	C36 H42 Cl7 P
SMILES	C(c1cccc2ccccc12)[P+](Cc1cccc2ccccc12)(C1CCCCC1)C1CCCCC1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Cl-]
Title of publication	Dicyclohexylbis(naphthalen-1-ylmethyl)phosphonium chloride chloroform disolvate
Authors of publication	Gowrisankar, Saravanan; Neumann, Helfried; Spannenberg, Anke; Beller, Matthias
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	12
Pages of publication	o3373
a	12.3079 ± 0.0002 Å
b	12.715 ± 0.0002 Å
c	14.031 ± 0.0003 Å
α	77.785 ± 0.001°
β	64.242 ± 0.001°
γ	64.738 ± 0.001°
Cell volume	1787.56 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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