Information card for entry 7154403

Structure parameters

• Formula: C34 H33 Cl N2 O6
• Calculated formula: C34 H33 Cl N2 O6
• SMILES: c1ccccc1CN1C(=O)[C@]2(c3cc(ccc13)Cl)[C@H](C(=O)c1ccc(C)cc1)[C@H]1CCCN1[C@]2(C(=O)OC)CC(=O)OC.c1ccccc1CN1C(=O)[C@@]2(c3cc(ccc13)Cl)[C@@H](C(=O)c1ccc(C)cc1)[C@@H]1CCCN1[C@@]2(C(=O)OC)CC(=O)OC
• Title of publication: Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.
• Authors of publication: Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 5905 - 5917
• a: 12.3 ± 0.002 Å
• b: 9.3444 ± 0.0017 Å
• c: 27.632 ± 0.005 Å
• α: 90°
• β: 104.945 ± 0.007°
• γ: 90°
• Cell volume: 3068.5 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1657
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No