Information card for entry 8101240

Structure parameters

• Formula: C60 H40 N4
• Calculated formula: C60 H40 N4
• Title of publication: Crystal structure of pyrene—5,10,15,20-tetraphenyl-21<i>H</i>,23 <i>H</i>-porphyrin (1/1), C~60~H~40~N~4~
• Authors of publication: Blömker, Jens; Frey, Wolfgang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 2
• Pages of publication: 263 - 264
• a: 9.727 ± 0.003 Å
• b: 10.854 ± 0.003 Å
• c: 11.62 ± 0.003 Å
• α: 106.3 ± 0.02°
• β: 104.11 ± 0.02°
• γ: 104.43 ± 0.02°
• Cell volume: 1073.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1424
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No