Information card for entry 1556933

Structure parameters

• Formula: C25 H24 N2 O4
• Calculated formula: C25 H24 N2 O4
• SMILES: O=C1N(C)C(=O)[C@@H]2C[C@H]3[C@H]4C(=O)N(C)C(=O)[C@H]4CC(=C3[C@H](C#Cc3ccccc3)[C@H]12)C.O=C1N(C)C(=O)[C@H]2C[C@@H]3[C@@H]4C(=O)N(C)C(=O)[C@@H]4CC(=C3[C@@H](C#Cc3ccccc3)[C@@H]12)C
• Title of publication: A general synthesis of dendralenes
• Authors of publication: George, Josemon; Ward, Jas S.; Sherburn, Michael S.
• Journal of publication: Chemical Science
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 43
• Pages of publication: 9969
• a: 21.8655 ± 0.0007 Å
• b: 6.7309 ± 0.0002 Å
• c: 29.0129 ± 0.0008 Å
• α: 90°
• β: 100.54 ± 0.003°
• γ: 90°
• Cell volume: 4197.9 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No