Information card for entry 4116263

Structure parameters

• Formula: C71 H78 N8 O6 Zn2
• Calculated formula: C71 H77 N8 O6 Zn2
• Title of publication: Transition-Metal-Mediated [2 + 2 + 2] Cycloaddition Reactions with Ethyne-Containing Porphyrin Templates: New Routes to Cofacial Porphyrin Structures and Facially-Functionalized (Porphinato)metal Species
• Authors of publication: James T. Fletcher; Michael J. Therien
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 12393 - 12394
• a: 13.5885 ± 0.0005 Å
• b: 27.5919 ± 0.001 Å
• c: 16.7882 ± 0.0008 Å
• α: 90°
• β: 109.35 ± 0.002°
• γ: 90°
• Cell volume: 5938.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.1364
• Residual factor for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections: 0.2095
• Weighted residual factors for significantly intense reflections: 0.1988
• Goodness-of-fit parameter for all reflections: 1.238
• Goodness-of-fit parameter for significantly intense reflections: 1.299
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No