Crystallography Open Database

Information card for entry 7001825

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Structure parameters

Formula	C28 H30 O2 P2
Calculated formula	C28 H30 O2 P2
SMILES	P12OCC[C@@H](OP3C(=C(C(=C3c3ccccc3)C)C)C1=C(C(=C2c1ccccc1)C)C)C
Title of publication	Chiral diphosphinites derived from 2,2-biphosphole as a new class of stereodynamic ligands for enantioselective hydrogenation
Authors of publication	Robé, Emmanuel; Hegedüs, Csaba; Bakos, József; Daran, Jean-Claude; Gouygou, Maryse
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	33
Pages of publication	6528 - 6535
a	9.4358 ± 0.0008 Å
b	11.4428 ± 0.001 Å
c	23.1598 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2500.6 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
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	0.0687
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1456
Weighted residual factors for all reflections included in the refinement	0.1529
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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