Information card for entry 2204166

Structure parameters

• Formula: C21 H30 N2 O
• Calculated formula: C21 H30 N2 O
• SMILES: O=C1Cc2c(N1C1CCN(CC1)C1CCCCCCC1)cccc2
• Title of publication: A novel receptor ligand: 1-(1-cyclooctylpiperidin-4-yl)indolin-2-one
• Authors of publication: Parrish, Damon A.; Deschamps, Jeffrey R.; Jiang, Faming; Zaveri, Nurulain T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1571 - o1572
• a: 5.917 ± 0.0002 Å
• b: 16.5865 ± 0.0006 Å
• c: 9.9576 ± 0.0004 Å
• α: 90°
• β: 104.128 ± 0.002°
• γ: 90°
• Cell volume: 947.7 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes