Crystallography Open Database

Information card for entry 7062276

Preview

Coordinates	7062276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H55 Cl3 N6 O4
Calculated formula	C81 H55 Cl3 N6 O4
Title of publication	Selective construction of polycyclic cyclohepta[b]indoles and cyclopenta[b]indoles via cycloaddition reaction of 3-(indol-3-yl)maleimides and (indol-2-yl)methanols
Authors of publication	Sun, Jing; Yan, Chen; Sun, Qiu; Han, Ying; Yan, Chao-Guo
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	14
Pages of publication	6694 - 6699
a	13.705 ± 0.003 Å
b	13.864 ± 0.003 Å
c	17.875 ± 0.005 Å
α	85.29 ± 0.007°
β	74.68 ± 0.007°
γ	82.395 ± 0.007°
Cell volume	3242.9 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3352
Residual factor for significantly intense reflections	0.1218
Weighted residual factors for significantly intense reflections	0.2426
Weighted residual factors for all reflections included in the refinement	0.2998
Goodness-of-fit parameter for all reflections included in the refinement	0.906
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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