Crystallography Open Database

Information card for entry 7157340

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Structure parameters

Formula	C16 H12 N2 O
Calculated formula	C16 H12 N2 O
Title of publication	Synthesis of indolo- and pyrrolo[1,2-a]quinoxalinones through a palladium-catalyzed oxidative carbonylation of the C<sub>2</sub> position of indole.
Authors of publication	Chandrasekhar, Attoor; Sankararaman, Sethuraman
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	8
Pages of publication	1612 - 1622
a	7.48 ± 0.006 Å
b	10.122 ± 0.007 Å
c	15.888 ± 0.011 Å
α	90°
β	96.16 ± 0.03°
γ	90°
Cell volume	1196 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7157340.cif
249019	2020-03-05	cif/ Updating files of 7157339, 7157340, 7157341 Original log message: Adding full bibliography for 7157339--7157341.cif.	7157340.cif
247541	2020-02-04	cif/ Adding structures of 7157339, 7157340, 7157341 via cif-deposit CGI script.	7157340.cif