Crystallography Open Database

Information card for entry 7157042

Preview

Coordinates	7157042.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	RSR-4e
Formula	C12 H6 Cl2 N2 O2
Calculated formula	C12 H6 Cl2 N2 O2
Title of publication	A route to access imidazol[1,5-a]indole-1,3-diones and pyrrolo[1,2-c]imidazole-1,3-diones.
Authors of publication	Sreenivasa Rao, Ramana; Shajan, Femil Joseph; Reddy, D. Srinivasa
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	36
Pages of publication	8384 - 8390
a	10.4975 ± 0.0002 Å
b	14.8593 ± 0.0004 Å
c	7.2597 ± 0.0002 Å
α	90°
β	101.37 ± 0.001°
γ	90°
Cell volume	1110.18 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0544
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225269 (current)	2019-11-08	cif/ Updating files of 7157042 Original log message: Adding full bibliography for 7157042.cif.	7157042.cif
217632	2019-08-21	cif/ Adding structures of 7157042 via cif-deposit CGI script.	7157042.cif