Information card for entry 2226068

Structure parameters

• Chemical name: 1-Tetradecylindoline-2,3-dione
• Formula: C22 H33 N O2
• Calculated formula: C22 H33 N O2
• SMILES: O=C1c2c(N(C1=O)CCCCCCCCCCCCCC)cccc2
• Title of publication: 1-Tetradecylindoline-2,3-dione
• Authors of publication: Mamari, Khalil; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1410
• a: 27.6647 ± 0.0008 Å
• b: 4.7055 ± 0.0001 Å
• c: 15.7583 ± 0.0005 Å
• α: 90°
• β: 103.635 ± 0.001°
• γ: 90°
• Cell volume: 1993.54 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0966
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.2022
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes