Crystallography Open Database

Information card for entry 7132406

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Coordinates	7132406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H25 N S
Calculated formula	C32 H25 N S
Title of publication	Cascade radical cyclization on 3-propargyl-2-alkenyl indole gives stereoselective access to cyclohepta[<i>b</i>]indole over carbazole.
Authors of publication	Gharpure, Santosh J.; Kumari, Sanyog
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	5
Pages of publication	538 - 541
a	10.4151 ± 0.0005 Å
b	11.5788 ± 0.0008 Å
c	12.6011 ± 0.0009 Å
α	95.743 ± 0.006°
β	112.337 ± 0.006°
γ	116.102 ± 0.006°
Cell volume	1195.11 ± 0.18 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0762
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1353
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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