Crystallography Open Database

Information card for entry 4035804

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Coordinates	4035804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H48 F12 N4 O16 S4
Calculated formula	C50 H48 F12 N4 O16 S4
Title of publication	Rhodium(III)-Catalyzed Redox-Neutral Synthesis of Isoquinolinium Salts via C-H Activation of Imines.
Authors of publication	Tian, Miaomiao; Zheng, Guangfan; Fan, Xuesen; Li, Xingwei
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	12
Pages of publication	6477 - 6488
a	31.492 Å
b	9.345 Å
c	21.839 Å
α	90°
β	112.88°
γ	90°
Cell volume	5921.39 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1179
Residual factor for significantly intense reflections	0.0918
Weighted residual factors for significantly intense reflections	0.3113
Weighted residual factors for all reflections included in the refinement	0.3455
Goodness-of-fit parameter for all reflections included in the refinement	1.367
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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