Information card for entry 4029217

Structure parameters

• Formula: C27 H31 N3 O11
• Calculated formula: C27 H31 N3 O11
• SMILES: O1[C@H]2C3=C4[C@H]5O[C@@H]([C@H]4[C@H]4[C@@H]([C@H]3[C@@H]1[C@@H]1[C@H]2C(=O)N(C)C1=O)C(=O)N(C)C4=O)[C@@H]1[C@H]5C(=O)N(C)C1=O.CC(=O)OCC.O.O1[C@@H]2C3=C4[C@@H]5O[C@H]([C@@H]4[C@@H]4[C@H]([C@@H]3[C@H]1[C@H]1[C@@H]2C(=O)N(C)C1=O)C(=O)N(C)C4=O)[C@H]1[C@@H]5C(=O)N(C)C1=O.CC(=O)OCC.O
• Title of publication: Furanodendralenes.
• Authors of publication: Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 7
• Pages of publication: 3185 - 3193
• a: 13.798 ± 0.004 Å
• b: 9.8024 ± 0.0018 Å
• c: 21.099 ± 0.006 Å
• α: 90°
• β: 107.461 ± 0.008°
• γ: 90°
• Cell volume: 2722.2 ± 1.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.1367
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for all reflections: 0.1971
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No