Crystallography Open Database

Information card for entry 4133740

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Coordinates	4133740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.5 H39 Al Cl F12 N O4
Calculated formula	C54.5 H39 Al Cl F12 N O4
Title of publication	Asymmetric Hydroboration of Heteroaryl Ketones by Aluminum Catalysis.
Authors of publication	Lebedev, Yury N.; Polishchuk, Iuliia; Maity, Bholanath; Cavallo, Luigi; Rueping, Magnus
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
a	8.2054 ± 0.0005 Å
b	22.5851 ± 0.0016 Å
c	26.1244 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	4841.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.1562
Residual factor for significantly intense reflections	0.0985
Weighted residual factors for significantly intense reflections	0.2511
Weighted residual factors for all reflections included in the refinement	0.2991
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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