Information card for entry 7222115

Structure parameters

• Chemical name: 15a
• Formula: C40 H33 N3 O4
• Calculated formula: C40 H33 N3 O4
• SMILES: c1ccccc1CN1c2ccccc2[C@@]2(C1=O)[C@@]1([C@@H]([C@@H](c3ccccc3)N2)C(=O)OC)c2ccccc2N(Cc2ccccc2)C1=O.c1ccccc1CN1c2ccccc2[C@]2(C1=O)[C@]1([C@H]([C@H](c3ccccc3)N2)C(=O)OC)c2ccccc2N(Cc2ccccc2)C1=O
• Title of publication: Acetic Acid Promoted Tandem Cyclization of in situ Generated 1,3-Dipoles: Setereoselective Synthesis of Dispiroimidazolidinyl and Dispiropyrrolidinyl Oxindoles with Multiple Chiral Stereocenters
• Authors of publication: Koorathota, Suman; Thennarasu, Sathiah
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 22.523 ± 0.002 Å
• b: 8.9345 ± 0.0007 Å
• c: 32.983 ± 0.003 Å
• α: 90°
• β: 105.1 ± 0.003°
• γ: 90°
• Cell volume: 6408.1 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1188
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2041
• Weighted residual factors for all reflections included in the refinement: 0.2449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No