Information card for entry 7243573

Structure parameters

• Formula: C14 H20 O2
• Calculated formula: C14 H20 O2
• Title of publication: Separation of a diastereomeric diol pair using mechanical properties of crystals
• Authors of publication: Gamidi, Rama Krishna; Dandawate, Monica; Choudhury, Rahul; Tothadi, Srinu; Nangia, Ashwini; Reddy, D. Srinivasa
• Journal of publication: CrystEngComm
• Year of publication: 2021
• a: 5.0851 ± 0.0017 Å
• b: 13.6181 ± 0.0018 Å
• c: 18.784 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1300.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No