Information card for entry 4022688

Structure parameters

• Formula: C25 H24 O3
• Calculated formula: C25 H24 O3
• SMILES: [C@@]123CCC[C@]1(C(=O)[C@H]([C@@]1(O2)C(=C\c2ccccc2)\CCc2ccccc12)O3)C.[C@]123CCC[C@@]1(C(=O)[C@@H]([C@]1(O2)C(=C\c2ccccc2)\CCc2ccccc12)O3)C
• 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: 40.222 ± 0.016 Å
• b: 18.798 ± 0.007 Å
• c: 10.308 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7794 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.2041
• Weighted residual factors for all reflections included in the refinement: 0.2612
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No