Information card for entry 4033975

Structure parameters

• Formula: C43 H45 N O2
• Calculated formula: C43 H45 N O2
• SMILES: C1(=O)c2ccccc2C(=O)C21[C@H](c1ccc(C(C)C)cc1)[C@@H](c1ccc(C(C)C)cc1)N1CCC(=C\c3ccc(C(C)C)cc3)/[C@H]21.C1(=O)c2ccccc2C(=O)C21[C@@H](c1ccc(C(C)C)cc1)[C@H](c1ccc(C(C)C)cc1)N1CCC(=C\c3ccc(C(C)C)cc3)/[C@@H]21
• Title of publication: Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.
• Authors of publication: Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 19
• Pages of publication: 12437 - 12451
• a: 8.8231 ± 0.0005 Å
• b: 12.02 ± 0.0006 Å
• c: 18.5392 ± 0.0009 Å
• α: 100.516 ± 0.0015°
• β: 94.566 ± 0.0017°
• γ: 101.37 ± 0.0017°
• Cell volume: 1881.51 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No