Crystallography Open Database

Information card for entry 7133409

Preview

Coordinates	7133409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H9 Br F3 N O3 S
Calculated formula	C11 H9 Br F3 N O3 S
Title of publication	A quick access to CF<sub>3</sub>-containing functionalized benzofuranyl, benzothiophene and indolyl heterocycles under catalyst-free conditions.
Authors of publication	Kazi, Ayazoddin Aunoddin; Manjuladevi, Nadimpalli; Kumar, Salla Suresh; Sharma, Anamika; Singh, L. Ravithej
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	70
Pages of publication	9376 - 9379
a	5.4629 ± 0.0007 Å
b	21.481 ± 0.003 Å
c	11.2799 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1323.7 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
294405 (current)	2024-09-06	cif/ Updating files of 7133408, 7133409 Original log message: Adding full bibliography for 7133408--7133409.cif.	7133409.cif
293552	2024-07-27	cif/ Adding structures of 7133408, 7133409 via cif-deposit CGI script.	7133409.cif