Information card for entry 4116086

Structure parameters

• Formula: C62 H60 Cl8 N4 O10
• Calculated formula: C62 H60 Cl8 N4 O10
• Title of publication: meso-Unsubstituted Porphyrinogens and Hexaphyrinogens: The First X-ray Characterization
• Authors of publication: Hidemitsu Uno; Takashi Inoue; Yumiko Fumoto; Motoo Shiro; Noboru Ono
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 6773 - 6774
• a: 12.571 ± 0.006 Å
• b: 14.418 ± 0.007 Å
• c: 9.414 ± 0.004 Å
• α: 100.63 ± 0.04°
• β: 95.88 ± 0.04°
• γ: 112.38 ± 0.04°
• Cell volume: 1522.4 ± 1.4 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 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: 0.0529
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections: 1.978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.98
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No