Information card for entry 8101480

Structure parameters

• Formula: C50 H50 N4 O8
• Calculated formula: C50 H50 N4 O8
• Title of publication: Crystal structure of 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin‒ water‒methanol (1/2/2), C48H38N4O4 · 2CH3OH · 2H2O
• Authors of publication: Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; Rocha Gonsalves, A. M. d'A.; Pereira, M. M.; Piñeiro, M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 253 - 254
• a: 14.272 ± 0.003 Å
• b: 9.842 ± 0.002 Å
• c: 15.722 ± 0.003 Å
• α: 90°
• β: 100.6 ± 0.05°
• γ: 90°
• Cell volume: 2170.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1696
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No