Crystallography Open Database

Information card for entry 4067850

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Structure parameters

Formula	C25 H20 P2
Calculated formula	C25 H20 P2
SMILES	p1(c2c(c3c1cccc3)cccc2)CP(c1ccccc1)c1ccccc1
Title of publication	Modular Phosphole-Methano-Bridged-Phosphine(Borane) Ligands. Application to Rhodium-Catalyzed Reactions
Authors of publication	Nguyen, Duc Hanh; Bayardon, Jérôme; Salomon-Bertrand, Christine; Jugé, Sylvain; Kalck, Philippe; Daran, Jean-Claude; Urrutigoity, Martine; Gouygou, Maryse
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	3
Pages of publication	857
a	21.7995 ± 0.0006 Å
b	10.3959 ± 0.0003 Å
c	18.0133 ± 0.0005 Å
α	90°
β	102.674 ± 0.003°
γ	90°
Cell volume	3982.8 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	3
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	0.0625
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.1024
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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