Crystallography Open Database

Information card for entry 4024727

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Coordinates	4024727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H67 Cl2 N2 O11 P
Calculated formula	C62 H67 Cl2 N2 O11 P
Title of publication	Absolute Configuration of 3,3'-Diphenyl-[2,2'-binaphthalene]-1,1'-diol Revisited
Authors of publication	Prasad L. Polavarapu; Ana G. Petrovic; Sarah E. Vick; William D. Wulff; Hong Ren; Zhensheng Ding; Richard J. Staples
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	5451 - 5457
a	12.3355 ± 0.0002 Å
b	16.4408 ± 0.0002 Å
c	27.3926 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5555.37 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0848
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1803
Weighted residual factors for all reflections included in the refinement	0.1918
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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