Information card for entry 4032121

Structure parameters

• Formula: C40 H34 N2 O
• Calculated formula: C40 H34 N2 O
• SMILES: O=C1N(c2c(cccc2)[C@@]21[C@@]1(c3ccccc3)[C@@H]([C@@]1(c1ccccc1)[C@@H]1N2CCC1)c1ccccc1)Cc1ccccc1.O=C1N(c2c(cccc2)[C@]21[C@]1(c3ccccc3)[C@H]([C@]1(c1ccccc1)[C@H]1N2CCC1)c1ccccc1)Cc1ccccc1
• 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: 10.5975 ± 0.0003 Å
• b: 13.6912 ± 0.0003 Å
• c: 20.7918 ± 0.0005 Å
• α: 90°
• β: 96.98 ± 0.003°
• γ: 90°
• Cell volume: 2994.38 ± 0.13 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No