Information card for entry 2225770

Structure parameters

• Chemical name: 5,10,15,20-Tetra-2-furylporphyrin
• Formula: C36 H22 N4 O4
• Calculated formula: C36 H22 N4 O4
• SMILES: c12nc(=C(c3[nH]c(cc3)C(=c3ccc(n3)C(=c3[nH]c(=C2c2ccco2)cc3)c2occc2)c2ccco2)c2occc2)cc1
• Title of publication: 5,10,15,20-Tetra-2-furylporphyrin
• Authors of publication: Ghosh, Avijit; Butcher, Ray J.; Mobin, Shaikh M.; Ravikanth, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1160 - o1161
• a: 9.6068 ± 0.0004 Å
• b: 7.3956 ± 0.0003 Å
• c: 18.177 ± 0.0007 Å
• α: 90°
• β: 97.419 ± 0.004°
• γ: 90°
• Cell volume: 1280.63 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.1098
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes