Information card for entry 4101297

Structure parameters

• Formula: C99 H31 Cl3 F35 N8
• Calculated formula: C99 H31 Cl3 F35 N8
• Title of publication: Porphyrin synthesis in water provides new expanded porphyrins with direct bipyrrole linkages: isolation and characterization of two heptaphyrins.
• Authors of publication: Hiroto, Satoru; Shinokubo, Hiroshi; Osuka, Atsuhiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 20
• Pages of publication: 6568 - 6569
• a: 11.921 ± 0.005 Å
• b: 13.3 ± 0.005 Å
• c: 29.176 ± 0.01 Å
• α: 101.478 ± 0.013°
• β: 95.064 ± 0.015°
• γ: 107.334 ± 0.015°
• Cell volume: 4273 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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 all reflections: 0.1271
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.209
• Weighted residual factors for all reflections included in the refinement: 0.2393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No