Information card for entry 2205148

Structure parameters

• Common name: 2-Phenylselanyl-3,5-methano-2H-cyclopenta[b]furan-2-one
• Chemical name: 2-Phenylselanyl-3,5-methano-2H-cyclopenta[b]furan-2-one
• Formula: C14 H14 O2 Se
• Calculated formula: C14 H14 O2 Se
• SMILES: [Se](c1ccccc1)[C@H]1[C@@H]2OC(=O)[C@@H]3C[C@H]1C[C@H]23
• Title of publication: 2-Phenylselanyl-3,5-methano-2<i>H</i>-cyclopenta[<i>b</i>]furan-2-one
• Authors of publication: Thomas Francis; D. Alan R. Happer; Ward T. Robinson
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o453 - o455
• a: 6.2771 ± 0.0013 Å
• b: 9.792 ± 0.002 Å
• c: 19.073 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1172.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No