Information card for entry 4038750

Structure parameters

• Formula: C4 H8 Cl F2 N
• Calculated formula: C4 H8 Cl F2 N
• Title of publication: Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.
• Authors of publication: Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 19
• Pages of publication: 12692 - 12702
• a: 6.0157 ± 0.0004 Å
• b: 7.4732 ± 0.0004 Å
• c: 7.6279 ± 0.0004 Å
• α: 106.605 ± 0.004°
• β: 105.053 ± 0.004°
• γ: 91.961 ± 0.004°
• Cell volume: 315.16 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0472
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No