Information card for entry 1554971

Structure parameters

• Formula: C34 H30 N4 O4
• Calculated formula: C34 H30 N4 O4
• Title of publication: Quaterpyrroles as building blocks for the synthesis of expanded porphyrins.
• Authors of publication: Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 2194 - 2197
• a: 7.3964 ± 0.0015 Å
• b: 23.302 ± 0.005 Å
• c: 16.073 ± 0.003 Å
• α: 90°
• β: 94.05 ± 0.03°
• γ: 90°
• Cell volume: 2763.3 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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 all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No