Information card for entry 4033976

Structure parameters

• Formula: C36 H34 N2 O
• Calculated formula: C36 H34 N2 O
• SMILES: c12ccccc1[C@@]1(C(=O)N2)[C@H](c2cc(C)ccc2)[C@@H](c2cc(C)ccc2)N2CC/C(=C\c3cc(C)ccc3)[C@H]12.c12ccccc1[C@]1(C(=O)N2)[C@@H](c2cc(C)ccc2)[C@H](c2cc(C)ccc2)N2CC/C(=C\c3cc(C)ccc3)[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: 12.465 ± 0.005 Å
• b: 13.193 ± 0.005 Å
• c: 18.105 ± 0.006 Å
• α: 85.557 ± 0.01°
• β: 88.764 ± 0.011°
• γ: 82.243 ± 0.01°
• Cell volume: 2941.1 ± 1.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.3463
• Residual factor for significantly intense reflections: 0.1726
• Weighted residual factors for significantly intense reflections: 0.3905
• Weighted residual factors for all reflections included in the refinement: 0.4601
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No