Information card for entry 1502552

Structure parameters

• Formula: C24 H34 N2 O4
• Calculated formula: C24 H34 N2 O4
• SMILES: O(C(=O)Cc1c(n2c(c1C)C(CC2(c1[nH]c(c(c1C)CC(=O)OC)C)C)(C)C)C)C
• Title of publication: One-pot synthesis of asymmetric annulated bis(pyrrole)s.
• Authors of publication: Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 5846 - 5849
• a: 12.705 ± 0.01 Å
• b: 9.521 ± 0.006 Å
• c: 19.28 ± 0.004 Å
• α: 90°
• β: 94.137 ± 0.004°
• γ: 90°
• Cell volume: 2326 ± 2 ų
• Cell temperature: 213.1 K
• Ambient diffraction temperature: 213.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No