Information card for entry 2009465

Structure parameters

• Formula: C45 H30 Cl2 N6 O4
• Calculated formula: C44.5 H27 Cl2 N6 O4
• Title of publication: 3,12-Dinitro-5,10,15,20-tetraphenylporphyrin – an example of a twisted intramolecular charge-transfer system
• Authors of publication: Dahal, S.; Nethaji, M.; Krishnan, V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 314 - 317
• a: 12.32 ± 0.007 Å
• b: 12.524 ± 0.007 Å
• c: 13.866 ± 0.006 Å
• α: 75.55 ± 0.04°
• β: 69.97 ± 0.04°
• γ: 63.86 ± 0.03°
• Cell volume: 1792.1 ± 1.7 ų
• Cell temperature: 295 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.077
• Goodness-of-fit parameter for significantly intense reflections: 2.7189
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No