Crystallography Open Database

Information card for entry 7159115

Preview

Coordinates	7159115.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C30H24N4O
Formula	C30 H24 N4 O
Calculated formula	C30 H24 N4 O
Title of publication	Pd(II)-catalyzed coupling of C-H bonds of carboxamides with iodoazobenzenes toward modified azobenzenes.
Authors of publication	Suwasia, Sonam; Venkataramani, Sugumar; Babu, Srinivasarao Arulananda
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	8
Pages of publication	1793 - 1813
a	15.231 ± 0.002 Å
b	8.7746 ± 0.001 Å
c	18.051 ± 0.003 Å
α	90°
β	101.917 ± 0.014°
γ	90°
Cell volume	2360.4 ± 0.6 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.3211
Residual factor for significantly intense reflections	0.1101
Weighted residual factors for significantly intense reflections	0.2698
Weighted residual factors for all reflections included in the refinement	0.423
Goodness-of-fit parameter for all reflections included in the refinement	0.928
Diffraction radiation probe	x-ray
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
281562 (current)	2023-03-04	cif/ Updating files of 7159115 Original log message: Adding full bibliography for 7159115.cif.	7159115.cif
280570	2023-01-25	cif/ Adding structures of 7159115 via cif-deposit CGI script.	7159115.cif