Crystallography Open Database

Information card for entry 4063333

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Structure parameters

Formula	C30 H36 O4 P2
Calculated formula	C30 H36 O4 P2
SMILES	c1(c(c(cc2ccccc12)CP(=O)(CC)CC)O)c1c(c(cc2ccccc12)CP(=O)(CC)CC)O
Title of publication	Organophosphine Oxide/Sulfide-Substituted Lanthanide Binaphtholate Catalysts for Enantioselective Hydroamination/Cyclization
Authors of publication	Xianghua Yu; Tobin J. Marks
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Pages of publication	365 - 376
a	8.7568 ± 0.0009 Å
b	17.2784 ± 0.0017 Å
c	9.5484 ± 0.001 Å
α	90°
β	104.529 ± 0.002°
γ	90°
Cell volume	1398.5 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0695
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1369
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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