Information card for entry 4322428

Structure parameters

• Formula: C10 H13 N O
• Calculated formula: C10 H13 N O
• SMILES: O=c1cccccc1NC(C)C
• Title of publication: Bridged Aminotroponiminate Complexes of the Lanthanides
• Authors of publication: Peter W. Roesky; Markus R. Bürgstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5629 - 5632
• a: 8.506 ± 0.002 Å
• b: 8.202 ± 0.002 Å
• c: 13.789 ± 0.003 Å
• α: 90°
• β: 96.14 ± 0.03°
• γ: 90°
• Cell volume: 956.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1097
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections: 0.2901
• Weighted residual factors for significantly intense reflections: 0.2192
• Goodness-of-fit parameter for all reflections: 1.133
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No