Information card for entry 7154410

Structure parameters

• Formula: C34 H37 Cl N2 O10
• Calculated formula: C34 H37 Cl N2 O10
• SMILES: CCCCN1C(=O)[C@@]2(c3c1ccc(c3)Cl)[C@H](C(=O)c1ccc(C)cc1)CN([C@]2(C(=O)OC)CC(=O)OC)/C(=C/C(=O)OC)C(=O)OC.CCCCN1C(=O)[C@]2(c3c1ccc(c3)Cl)[C@@H](C(=O)c1ccc(C)cc1)CN([C@@]2(C(=O)OC)CC(=O)OC)/C(=C/C(=O)OC)C(=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: 10.5329 ± 0.0012 Å
• b: 10.6066 ± 0.0011 Å
• c: 19.252 ± 0.002 Å
• α: 104.723 ± 0.003°
• β: 97.305 ± 0.003°
• γ: 107.595 ± 0.003°
• Cell volume: 1933.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2795
• Weighted residual factors for all reflections included in the refinement: 0.2992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No