Information card for entry 1518072

Structure parameters

• Formula: C26 H24 O2
• Calculated formula: C26 H24 O2
• SMILES: O1c2c([C@H]3[C@@H](c4c(OCCC1)cccc4)C=C(c1ccccc1)C3)cccc2
• Title of publication: A novel intramolecular homoenolate annulation leading to the formation of cyclopentene-fused macrocycles.
• Authors of publication: Seetha Lakshmi, K. C.; Sinu, C. R.; Padmaja, D. V. M.; Gopinathan, Anilkumar; Suresh, Eringathodi; Nair, Vijay
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 21
• Pages of publication: 5532 - 5535
• a: 12.3878 ± 0.0011 Å
• b: 9.8635 ± 0.0009 Å
• c: 16.296 ± 0.0014 Å
• α: 90°
• β: 100.385 ± 0.001°
• γ: 90°
• Cell volume: 1958.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No