Information card for entry 1554969

Structure parameters

• Formula: C32 H26 N4 O2
• Calculated formula: C32 H26 N4 O2
• SMILES: C(=O)(C)c1c(c2ccccc2)c(c2ccc[nH]2)[nH]c1c1c(c(c2ccccc2)c(c2ccc[nH]2)[nH]1)C(=O)C
• 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: 16.098 ± 0.003 Å
• b: 8.0852 ± 0.0016 Å
• c: 19.417 ± 0.004 Å
• α: 90°
• β: 103.12 ± 0.03°
• γ: 90°
• Cell volume: 2461.3 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No