Information card for entry 4029220

Structure parameters

• Formula: C41 H35 N3 O8
• Calculated formula: C41 H35 N3 O8
• SMILES: O1[C@@H]2[C@@H]3C(=O)N(C(=O)[C@@H]3C[C@H]3[C@@H]4C(=O)N(C(=O)[C@@H]4[C@H]4C[C@H]5C(=O)N(C(=O)[C@H]5[C@@H]1C4=C23)c1ccccc1)c1ccccc1)c1ccccc1.O=C(C)C.O1[C@H]2[C@H]3C(=O)N(C(=O)[C@H]3C[C@@H]3[C@H]4C(=O)N(C(=O)[C@H]4[C@@H]4C[C@@H]5C(=O)N(C(=O)[C@@H]5[C@H]1C4=C23)c1ccccc1)c1ccccc1)c1ccccc1.O=C(C)C
• 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: 16.1476 ± 0.0003 Å
• b: 9.4116 ± 0.0001 Å
• c: 23.5383 ± 0.0005 Å
• α: 90°
• β: 109.522 ± 0.001°
• γ: 90°
• Cell volume: 3371.58 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections: 0.1275
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9617
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No