Crystallography Open Database

Information card for entry 7133124

Preview

Coordinates	7133124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H48 Br2 N2 O6 S4
Calculated formula	C46 H48 Br2 N2 O6 S4
Title of publication	Site-Selective Synthesis of Indanyl-Substituted Indole Derivatives via 1,3-Dithiane induced Nazarov cyclization
Authors of publication	Li, Jia; Li, Liang; Mao, Mingming; Li, Rui-Peng; Huo, Xing; Tang, Shouchu
Journal of publication	Chemical Communications
Year of publication	2024
a	13.3806 ± 0.0002 Å
b	13.864 ± 0.0002 Å
c	15.8118 ± 0.0002 Å
α	114.886 ± 0.001°
β	90.41 ± 0.001°
γ	117.953 ± 0.001°
Cell volume	2272.67 ± 0.07 Å³
Cell temperature	302.74 ± 0.1 K
Ambient diffraction temperature	302.74 ± 0.1 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	0.042
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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