Crystallography Open Database

Information card for entry 7157341

Preview

Coordinates	7157341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 N2 O
Calculated formula	C13 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	6.928 ± 0.0002 Å
b	10.494 ± 0.0003 Å
c	15.399 ± 0.0004 Å
α	90°
β	102.976 ± 0.001°
γ	90°
Cell volume	1090.96 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0738
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1624
Weighted residual factors for all reflections included in the refinement	0.18
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
249019 (current)	2020-03-05	cif/ Updating files of 7157339, 7157340, 7157341 Original log message: Adding full bibliography for 7157339--7157341.cif.	7157341.cif
247541	2020-02-04	cif/ Adding structures of 7157339, 7157340, 7157341 via cif-deposit CGI script.	7157341.cif