Information card for entry 4033977

Structure parameters

• Formula: C36 H34 N2 O
• Calculated formula: C36 H34 N2 O
• SMILES: c12ccccc1[C@]1(C(=O)N2)[C@@H](c2ccc(C)cc2)[C@H](c2ccc(C)cc2)N2CCC(=C\c3ccc(C)cc3)/[C@@H]12.c12ccccc1[C@@]1(C(=O)N2)[C@H](c2ccc(C)cc2)[C@@H](c2ccc(C)cc2)N2CCC(=C\c3ccc(C)cc3)/[C@H]12
• 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: 33.92 ± 0.03 Å
• b: 17.611 ± 0.01 Å
• c: 12.341 ± 0.008 Å
• α: 90°
• β: 108.56 ± 0.03°
• γ: 90°
• Cell volume: 6989 ± 9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.3975
• Residual factor for significantly intense reflections: 0.1748
• Weighted residual factors for significantly intense reflections: 0.408
• Weighted residual factors for all reflections included in the refinement: 0.4684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No