Crystallography Open Database

Information card for entry 7158132

Preview

Coordinates	7158132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 N2 O2
Calculated formula	C14 H14 N2 O2
SMILES	O[C@H]1c2[nH]c3c(c2[C@@H]2N(C(=O)CC2)C1)cccc3.O[C@@H]1c2[nH]c3c(c2[C@H]2N(C(=O)CC2)C1)cccc3
Title of publication	Facile synthesis of indolizinoindolone, indolylepoxypyrrolooxazole, indolylpyrrolooxazolone and isoindolopyrazinoindolone heterocycles from indole and imide derivatives.
Authors of publication	Shelar, Santosh V.; Argade, Narshinha P.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	27
Pages of publication	6160 - 6169
a	24.406 ± 0.002 Å
b	5.0265 ± 0.0004 Å
c	9.4136 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1154.83 ± 0.16 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.193
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268916 (current)	2021-09-06	cif/ Updating files of 7158131, 7158132 Original log message: Adding full bibliography for 7158131--7158132.cif.	7158132.cif
266629	2021-06-23	cif/ Adding structures of 7158131, 7158132 via cif-deposit CGI script.	7158132.cif