Information card for entry 4028746

Structure parameters

• Formula: C37 H33 N3 O3
• Calculated formula: C37 H33 N3 O3
• SMILES: O=C1N(Cc2ccccc2)c2ccccc2[C@@]21[C@H](C(=O)C)[C@H]1N(CCC1)[C@]12C(=O)N(c2c1cccc2)Cc1ccccc1.O=C1N(Cc2ccccc2)c2ccccc2[C@]21[C@@H](C(=O)C)[C@@H]1N(CCC1)[C@@]12C(=O)N(c2c1cccc2)Cc1ccccc1
• Title of publication: Synthesis of Pyrrolo(spiro-[2.3']-oxindole)-spiro-[4.3"]-oxindole via 1,3-Dipolar Cycloaddition of Azomethine Ylides with 3-Acetonylideneoxindole
• Authors of publication: Jun-An Xiao; Hong-Gang Zhang; Shan Liang; Ji-Wei Ren; Hua Yang; Xiao-Qing Chen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 11577 - 11583
• a: 9.2909 ± 0.0002 Å
• b: 19.3115 ± 0.0005 Å
• c: 17.429 ± 0.0005 Å
• α: 90°
• β: 112.188 ± 0.002°
• γ: 90°
• Cell volume: 2895.57 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No