Information card for entry 4022687

Structure parameters

• Formula: C31 H30 O3
• Calculated formula: C31 H30 O3
• SMILES: O1C2=C([C@@H](/C=C/c3ccccc3)[C@H]3O[C@@]41[C@@](C3=O)(CCC4)C)CC/C2=C\C=C\c1ccccc1.O1C2=C([C@H](/C=C/c3ccccc3)[C@@H]3O[C@]41[C@](C3=O)(CCC4)C)CC/C2=C\C=C\c1ccccc1
• 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: 6.794 ± 0.002 Å
• b: 13.029 ± 0.005 Å
• c: 15.484 ± 0.004 Å
• α: 104.35 ± 0.03°
• β: 102.48 ± 0.02°
• γ: 104.49 ± 0.04°
• Cell volume: 1227.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1965
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No