Information card for entry 2007369

Structure parameters

• Chemical name: 7-Nitro-5,10,15,20-tetraphenylporphyrin
• Formula: C45 H31 Cl2 N5 O2
• Calculated formula: C45 H31 Cl2 N5 O2
• SMILES: N1=C2C=C(C1=C(c1[nH]c(C(=C3N=C(C(=c4[nH]c(=C2c2ccccc2)cc4)c2ccccc2)C=C3)c2ccccc2)cc1)c1ccccc1)N(=O)=O.C(Cl)Cl
• Title of publication: 7-Nitro-5,10,15,20-tetraphenylporphyrin Dichloromethane Solvate
• Authors of publication: Senge, Mathias O.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: IUC9800022
• a: 10.904 ± 0.006 Å
• b: 13.404 ± 0.006 Å
• c: 13.683 ± 0.006 Å
• α: 88.97 ± 0.04°
• β: 69.05 ± 0.04°
• γ: 77.88 ± 0.04°
• Cell volume: 1822.5 ± 1.6 ų
• Cell temperature: 126 ± 2 K
• Ambient diffraction temperature: 126 ± 2 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: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No