Information card for entry 7159169

Structure parameters

• Formula: C29 H24 N2 O5
• Calculated formula: C29 H24 N2 O5
• SMILES: O=C(OC)[C@@H]1[C@]2(c3c(N(C2=O)Cc2ccccc2)cccc3)C2(N(C)C1)C(=O)c1ccccc1C2=O
• Title of publication: Regioselective synthesis of enantiopure 1,2- and 1,3-dispirooxindoles along with a DFT study.
• Authors of publication: Asmari Bardazard, Kamal; Shahrestani, Naeimeh; Zamani, Amirhosein; Eskandari, Mehdi; Jadidi, Khosrow; Hamzehloueian, Mahshid; Notash, Behrouz
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 10
• Pages of publication: 2143 - 2161
• a: 7.8568 ± 0.0016 Å
• b: 10.363 ± 0.002 Å
• c: 30.033 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2445.3 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1933
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No