Crystallography Open Database

Information card for entry 1553182

Preview

Coordinates	1553182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 N O7
Calculated formula	C20 H19 N O7
SMILES	O(c1c2n3c(C(=O)c2cc(OC)c1O)cc1cc(OC)c(OC)c(OC)c31)C
Title of publication	Cu-catalyzed sequential C‒N bond formations: expeditious synthesis of tetracyclic indoloindol-3-ones
Authors of publication	Kulkarni, Anand M.; Srinivas, Kolluru; Deshpande, Mukund V.; Ramana, Chepuri V.
Journal of publication	Organic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	1
Pages of publication	43
a	11.3454 ± 0.0004 Å
b	13.013 ± 0.0005 Å
c	12.3899 ± 0.0004 Å
α	90°
β	91.009 ± 0.002°
γ	90°
Cell volume	1828.93 ± 0.11 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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