Information card for entry 7156887

Structure parameters

• Formula: C46 H34 Cl N4
• Calculated formula: C46 H34 Cl N4
• 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: 9.122 ± 0.003 Å
• b: 13.972 ± 0.004 Å
• c: 14.797 ± 0.004 Å
• α: 103.575 ± 0.008°
• β: 94.231 ± 0.011°
• γ: 107.933 ± 0.007°
• Cell volume: 1722.3 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1477
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.2151
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No