Information card for entry 1520668

Structure parameters

• Formula: C10 H19 N O2
• Calculated formula: C10 N O2
• SMILES: O1C(N=CC(C1)(C)C)C(CO)(C)C
• Title of publication: MCR V: the Seven-Component Reaction
• Authors of publication: Domling, Alexander; Herdtweck, Eberhardt; Ugi, Ivar
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1998
• Journal volume: 52
• Pages of publication: 107 - 113
• a: 6.143 ± 0.001 Å
• b: 17.592 ± 0.002 Å
• c: 9.974 ± 0.002 Å
• α: 90°
• β: 97.49 ± 0.01°
• γ: 90°
• Cell volume: 1068.7 ± 0.3 ų
• Ambient diffraction temperature: 163 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No