Information card for entry 7240104

Structure parameters

• Formula: C66 H58 Cl8 N10 O6
• Calculated formula: C66 H58 Cl8 N10 O6
• Title of publication: Regio- and stereoselective synthesis of spiropyrrolidine-oxindole and bis-spiropyrrolizidine-oxindole grafted macrocycles through [3 + 2] cycloaddition of azomethine ylides
• Authors of publication: Prabhakaran, Perumal; Rajakumar, Perumal
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 17
• Pages of publication: 10263 - 10276
• a: 16.8951 ± 0.0003 Å
• b: 18.5524 ± 0.0003 Å
• c: 10.2114 ± 0.0002 Å
• α: 90°
• β: 96.339 ± 0.002°
• γ: 90°
• Cell volume: 3181.14 ± 0.1 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: 0.07
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No