Information card for entry 7239707

Structure parameters

• Formula: C15 H23 N O5
• Calculated formula: C15 H23 N O5
• Title of publication: Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility
• Authors of publication: Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 3
• Pages of publication: 412 - 415
• a: 9.5719 ± 0.0007 Å
• b: 30.798 ± 0.002 Å
• c: 10.9331 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3223 ± 0.4 ų
• Cell temperature: 153 ± 0.7 K
• Ambient diffraction temperature: 153 ± 0.7 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No