Information card for entry 4022684

Structure parameters

• Formula: C26 H26 O3
• Calculated formula: C26 H26 O3
• SMILES: O1[C@@]23O[C@H]([C@]41c1ccccc1CCC\4=C/c1ccccc1)C(=O)C[C@@H]3CCCC2.O1[C@]23O[C@@H]([C@@]41c1ccccc1CCC\4=C/c1ccccc1)C(=O)C[C@H]3CCCC2
• Title of publication: Anomalous Reaction of Rh~2~(OAc)~4~-Generated Transient Carbonyl Ylides: Chemoselective Synthesis of Epoxy-Bridged Tetrahydropyranone, Oxepanone, Oxocinone, and Oxoninone Ring Systems
• Authors of publication: Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Srinivasarao Arulananda Babu; Eringathodi Suresh
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 1252 - 1262
• a: 8.027 ± 0.005 Å
• b: 13.87 ± 0.011 Å
• c: 36.175 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4028 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1388
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1885
• Weighted residual factors for all reflections included in the refinement: 0.2134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.7107 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No