Information card for entry 4033974

Structure parameters

• Formula: C37 H33 N O5
• Calculated formula: C37 H33 N O5
• SMILES: C1(=O)c2ccccc2C(=O)C21[C@@H](c1ccc(cc1)OC)[C@H](c1ccc(cc1)OC)N1[C@H]2C(=C\c2ccc(cc2)OC)\CC1.C1(=O)c2ccccc2C(=O)C21[C@H](c1ccc(cc1)OC)[C@@H](c1ccc(cc1)OC)N1[C@@H]2C(=C\c2ccc(cc2)OC)\CC1
• 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: 10.3606 ± 0.0013 Å
• b: 12.1928 ± 0.0014 Å
• c: 12.3443 ± 0.0013 Å
• α: 73.449 ± 0.003°
• β: 82.756 ± 0.004°
• γ: 85.252 ± 0.004°
• Cell volume: 1481 ± 0.3 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: 0.1157
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No