Crystallography Open Database

Information card for entry 7125649

Preview

Coordinates	7125649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H31 N5
Calculated formula	C44 H31 N5
Title of publication	Regioselective C-H amination of free base porphyrins via electrogenerated pyridinium-porphyrins and stabilization of easily oxidized amino-porphyrins by protonation.
Authors of publication	Bousfiha, Asmae; Dimé, Abdou K D; Mankou-Makaya, Amelle; Echaubard, Julie; Berthelot, Mathieu; Cattey, Hélène; Romieu, Anthony; Roger, Julien; Devillers, Charles H.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	6
Pages of publication	884 - 887
a	14.7683 ± 0.0009 Å
b	9.6009 ± 0.0005 Å
c	12.4544 ± 0.0007 Å
α	90°
β	114.209 ± 0.002°
γ	90°
Cell volume	1610.6 ± 0.16 Å³
Cell temperature	100.01 K
Ambient diffraction temperature	100.01 K
Number of distinct elements	3
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	0.0753
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.1423
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
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
247599 (current)	2020-02-04	cif/ Updating files of 7125649, 7125650 Original log message: Adding full bibliography for 7125649--7125650.cif.	7125649.cif
245033	2019-12-13	cif/ Adding structures of 7125649, 7125650 via cif-deposit CGI script.	7125649.cif