Crystallography Open Database

Information card for entry 4518737

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Coordinates	4518737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H33 Cl3 N O2 Rh
Calculated formula	C27 H33 Cl3 N O2 Rh
Title of publication	Electrolytic C‒H Oxygenation via Oxidatively Induced Reductive Elimination in Rh Catalysis
Authors of publication	Jin, Seongho; Kim, Jinwoo; Kim, Dongwook; Park, Jung-Woo; Chang, Sukbok
Journal of publication	ACS Catalysis
Year of publication	2021
Pages of publication	6590 - 6595
a	8.6935 ± 0.0004 Å
b	11.1078 ± 0.0004 Å
c	15.4392 ± 0.0006 Å
α	103.343 ± 0.0013°
β	102.776 ± 0.0013°
γ	103.769 ± 0.0013°
Cell volume	1347.51 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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