Information card for entry 4507940

Structure parameters

• Formula: C11 H14 N2 O2
• Calculated formula: C11 H14 N2 O2
• Title of publication: Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid
• Authors of publication: Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 3447
• a: 18.024 ± 0.006 Å
• b: 4.9974 ± 0.0017 Å
• c: 19.569 ± 0.007 Å
• α: 90°
• β: 104.622 ± 0.005°
• γ: 90°
• Cell volume: 1705.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No