Information card for entry 1566115

Structure parameters

• Formula: C21 H21 F N2 O2
• Calculated formula: C21 H21 F N2 O2
• SMILES: Fc1c(cccc1)C(Nc1c(OC)cccc1)Nc1c(OC)cccc1
• Title of publication: A new anilido-imine compound containing o-OMe-anilinyl derived from an unexpected adduct: Synthesis, crystal structure and its coordination capability
• Authors of publication: Su, Qing; Li, Pei; He, Mina; Wu, Qiaolin; Ye, Ling; Mu, Ying; Ma, Yudan
• Journal of publication: Comptes Rendus Chimie
• Year of publication: 2014
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 377 - 385
• a: 12.268 ± 0.003 Å
• b: 12.391 ± 0.003 Å
• c: 13.236 ± 0.003 Å
• α: 75.84 ± 0.03°
• β: 67.39 ± 0.03°
• γ: 76.59 ± 0.03°
• Cell volume: 1779.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.213
• Residual factor for significantly intense reflections: 0.1258
• Weighted residual factors for significantly intense reflections: 0.3184
• Weighted residual factors for all reflections included in the refinement: 0.3737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No