Information card for entry 1503724

Structure parameters

• Formula: C30 H32 N2 O8
• Calculated formula: C30 H32 N2 O8
• SMILES: O(C(=O)c1c(c2cc(OC)cc(OC)c2)c[nH]c1c1[nH]cc(c1C(=O)OCC)c1cc(OC)cc(OC)c1)CC
• Title of publication: One-pot synthesis of substituted 2,2'-bipyrroles. A straightforward route to aryl porphycenes.
• Authors of publication: Sánchez-García, David; Borrell, José I; Nonell, Santi
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 77 - 79
• a: 8.357 ± 0.0007 Å
• b: 8.9262 ± 0.0008 Å
• c: 9.6862 ± 0.0008 Å
• α: 104.725 ± 0.004°
• β: 105.038 ± 0.004°
• γ: 91.747 ± 0.004°
• Cell volume: 671.28 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections: 0.1357
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1673
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No