Information card for entry 7156886

Structure parameters

• Formula: C48 H40 Cl2 N4 O4
• Calculated formula: C48 H40 Cl2 N4 O4
• Title of publication: meso-Aryl substituted stable unorthodox 5,10-porphodimethenes with α,β and β,β-N-methyl pyrrole connectivities: synthesis and spectroscopic, solid state and theoretical characterization.
• Authors of publication: Halder, Nyancy; Sangeetha, Mohandas; Usharani, Dandamudi; Rath, Harapriya
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 25
• Pages of publication: 6131 - 6135
• a: 36.646 ± 0.002 Å
• b: 36.646 ± 0.002 Å
• c: 17.5414 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 20401 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1589
• Residual factor for significantly intense reflections: 0.1119
• Weighted residual factors for significantly intense reflections: 0.2936
• Weighted residual factors for all reflections included in the refinement: 0.3293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No