Information card for entry 1556932

Structure parameters

• Formula: C25 H24.34 N2 O4.17
• Calculated formula: C25 H24.342 N2 O4.171
• SMILES: CN1C(=O)[C@H]2CC=C3[C@H](C#Cc4ccccc4)[C@@H]4C(=O)N(C)C(=O)[C@@H]4C[C@@]3(C)[C@H]2C1=O.O
• 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: 22.1402 ± 0.0008 Å
• b: 6.8047 ± 0.0002 Å
• c: 14.236 ± 0.0005 Å
• α: 90°
• β: 100.71 ± 0.004°
• γ: 90°
• Cell volume: 2107.4 ± 0.13 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No