Information card for entry 4106918

Structure parameters

• Formula: C50 H36 N4
• Calculated formula: C50 H36 N4
• Title of publication: A Porphyrin with a C=C Unit at Its Center
• Authors of publication: Thomas P. Vaid
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15838 - 15841
• a: 15.523 ± 0.002 Å
• b: 14.8902 ± 0.0019 Å
• c: 15.937 ± 0.002 Å
• α: 90°
• β: 93.327 ± 0.004°
• γ: 90°
• Cell volume: 3677.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No