Information card for entry 8104615

Structure parameters

• Formula: C17 H16 Cl F N2 O2.5
• Calculated formula: C17 H16 Cl F N2 O2.5
• Title of publication: Crystal structure of (E)-N′-(1-(3-chloro-4-fluorophenyl)ethylidene)-4-hydroxy – tetrahydrofuran (2/1), C17H16ClFN2O2.5
• Authors of publication: Bao, Xiaobo; Tian, Chongchong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1383 - 1384
• a: 7.4495 ± 0.0006 Å
• b: 16.5328 ± 0.0013 Å
• c: 12.8519 ± 0.001 Å
• α: 90°
• β: 91.329 ± 0.001°
• γ: 90°
• Cell volume: 1582.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0644
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No