Information card for entry 4032119

Structure parameters

• Formula: C34 H32 N2 O
• Calculated formula: C34 H32 N2 O
• SMILES: O[C@@H]1N(c2c(cccc2)[C@@]21N1[C@@H](CCC1)[C@]1([C@@H]([C@@]21c1ccccc1)c1ccccc1)c1ccccc1)C.O[C@H]1N(c2c(cccc2)[C@]21N1[C@H](CCC1)[C@@]1([C@H]([C@]21c1ccccc1)c1ccccc1)c1ccccc1)C
• Title of publication: Synthesis of Functionalized 3-Spiro[cyclopropa[a]pyrrolizine]- and 3-Spiro[3-azabicyclo[3.1.0]hexane]oxindoles from Cyclopropenes and Azomethine Ylides via [3 + 2]-Cycloaddition.
• Authors of publication: Filatov, Alexander S.; Knyazev, Nickolay A.; Molchanov, Alexander P.; Panikorovsky, Taras L.; Kostikov, Rafael R.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 2
• Pages of publication: 959 - 975
• a: 11.15402 ± 0.00015 Å
• b: 17.9078 ± 0.0003 Å
• c: 12.87201 ± 0.0002 Å
• α: 90°
• β: 95.1831 ± 0.0013°
• γ: 90°
• Cell volume: 2560.59 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No