Information card for entry 1506693

Structure parameters

• Common name: tetrahydro-2H-cyclopenta[b]furan-3(3aH)-one
• Formula: C14 H16 N2 O4
• Calculated formula: C14 H16 N2 O4
• SMILES: O1[C@]2(Nc3ccc(cc3)N(=O)=O)[C@@](C(=O)C1)(C)CCC2.O1[C@@]2(Nc3ccc(cc3)N(=O)=O)[C@](C(=O)C1)(C)CCC2
• Title of publication: Regioselective nucleophilic addition to carbonyl ylide intermediates: a novel diastereoselective synthesis of cycloalkyl fused furan-3-ones.
• Authors of publication: Muthusamy, Sengodagounder; Gnanaprakasam, Boopathy; Suresh, Eringathodi
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 21
• Pages of publication: 4577 - 4580
• a: 12.4574 ± 0.0018 Å
• b: 7.9073 ± 0.0011 Å
• c: 14.806 ± 0.002 Å
• α: 90°
• β: 109.547 ± 0.003°
• γ: 90°
• Cell volume: 1374.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No