Information card for entry 7127818

Structure parameters

• Formula: C27 H28 N2 O6
• Calculated formula: C27 H28 N2 O6
• SMILES: O1[C@@]2(C(=C[C@]1(C)[C@@]1(O)C(=O)N(C)c3c1cccc3)C(=O)OC(C)(C)C)C(=O)N(C)c1ccccc21.O1[C@]2(C(=C[C@@]1(C)[C@]1(O)C(=O)N(C)c3c1cccc3)C(=O)OC(C)(C)C)C(=O)N(C)c1ccccc21
• Title of publication: Base-enabled access to diastereoselective spirofuran oxindoles and γ-functionalized allenoates.
• Authors of publication: D, Basavaraja; M S, Ajay Krishna; Krishnan, Jagadeesh; C S, Athira; R R, Amrutha; Suresh, Eringathodi; Somappa, Sasidhar B.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 14
• Pages of publication: 1746 - 1749
• a: 31.063 ± 0.016 Å
• b: 11.549 ± 0.006 Å
• c: 14.001 ± 0.008 Å
• α: 90°
• β: 96.663 ± 0.009°
• γ: 90°
• Cell volume: 4989 ± 5 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No