Information card for entry 7225341

Structure parameters

• Formula: C31 H26 N2 O5
• Calculated formula: C31 H26 N2 O5
• SMILES: O=C(OCC)C1=C(Oc2c([C@@]31C(=O)N(c1c3cccc1)Cc1ccccc1)cc(OC)c1c2cccc1)N
• Title of publication: Construction of Highly Enantioselective Spiro-oxindole Derivatives with Fused Chromene via Organocascade Catalysis
• Authors of publication: Kumari, Prathibha; Nandi, Sekhar; Kumar, Gaurav; Khan, Noor-ul Hasan; Kureshy, Rukhsana Ilyas; Abdi, Sayed H. R.; Eringathodi, Suresh; Bajaj, Hari Chand
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.114 ± 0.0016 Å
• b: 13.231 ± 0.002 Å
• c: 22.242 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2682.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0987
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No