Information card for entry 7702300

Structure parameters

• Formula: C13 H19 N O
• Calculated formula: C13 H21 N O
• Title of publication: Synthesis and structural characterization of Group 4 metallocene complexes that contain remote carboxamide functionalities at their Cp-side chains
• Authors of publication: Doris Huerlander; Roland Frohlich; Gerhard Erker
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Pages of publication: 1513 - 1520
• a: 10.916 ± 0.003 Å
• b: 10.601 ± 0.003 Å
• c: 11.246 ± 0.008 Å
• α: 90°
• β: 109.37 ± 0.03°
• γ: 90°
• Cell volume: 1227.7 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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 all reflections: 0.165
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No