Information card for entry 4513025

Structure parameters

• Formula: C26 H33 N O6
• Calculated formula: C26 H33 N O6
• Title of publication: Computationally Assisted (Solid-State Density Functional Theory) Structural (X-ray) and Vibrational Spectroscopy (FT-IR, FT-RS, TDs-THz) Characterization of the Cardiovascular Drug Lacidipine
• Authors of publication: Drużbicki, Kacper; Mielcarek, Jadwiga; Kiwilsza, Anna; Toupet, Loic; Collet, Eric; Pajzderska, Aleksandra; Wąsicki, Jan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 2817
• a: 13.8342 ± 0.0004 Å
• b: 22.8608 ± 0.0005 Å
• c: 7.8578 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2485.11 ± 0.11 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 40
• Hermann-Mauguin space group symbol: A m a 2
• Hall space group symbol: A 2 -2a
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No