Crystallography Open Database

Information card for entry 1518247

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Coordinates	1518247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H45 Cl2 Ir N4 O3
Calculated formula	C47 H45 Cl1.999 Ir N4 O3
Title of publication	Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality
Authors of publication	Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	2
Pages of publication	1094
a	38.9286 ± 0.0014 Å
b	13.3583 ± 0.0005 Å
c	17.0015 ± 0.0007 Å
α	90°
β	111.479 ± 0.0012°
γ	90°
Cell volume	8227.1 ± 0.5 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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