Information card for entry 4506703

Structure parameters

• Formula: C20 H21 N3 O2
• Calculated formula: C20 H21 N3 O2
• Title of publication: Crystal Design Approaches for the Synthesis of Paracetamol Co-Crystals
• Authors of publication: Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4870
• a: 8.9707 ± 0.0004 Å
• b: 12.8632 ± 0.0006 Å
• c: 16.8305 ± 0.0007 Å
• α: 106.068 ± 0.002°
• β: 95.273 ± 0.002°
• γ: 95.138 ± 0.002°
• Cell volume: 1844.87 ± 0.14 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections: 0.1348
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No