Information card for entry 1554973

Structure parameters

• Formula: C70 H58 Cl6 N8 O12 S
• Calculated formula: C70 H58 Cl6 N8 O12 S
• 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: 37.78 ± 0.008 Å
• b: 8.9173 ± 0.0018 Å
• c: 26.953 ± 0.005 Å
• α: 90°
• β: 133.41 ± 0.03°
• γ: 90°
• Cell volume: 6596 ± 4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1583
• Residual factor for significantly intense reflections: 0.1172
• Weighted residual factors for significantly intense reflections: 0.2834
• Weighted residual factors for all reflections included in the refinement: 0.3225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No