Information card for entry 2218839

Structure parameters

• Chemical name: 1-Acetyl-5,6-dimethoxyindoline
• Formula: C12 H15 N O3
• Calculated formula: C12 H15 N O3
• Title of publication: 1-Acetyl-5,6-dimethoxyindoline at 123 K
• Authors of publication: Cheng, Xiang-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1309
• a: 18.541 ± 0.004 Å
• b: 6.9572 ± 0.0015 Å
• c: 8.5582 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1104 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.403
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes