Information card for entry 7125649

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 ų
• 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 Fobs: No