Information card for entry 4503628

Structure parameters

• Formula: C16 H18 N2 O4
• Calculated formula: C16 H18 N2 O4
• Title of publication: Polymorphism of a Simple Organic Amide
• Authors of publication: Hauser, Melanie R.; Zhakarov, Lev; Doxsee, Kenneth M.; Li, Tonglei
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 4428
• a: 14.167 ± 0.003 Å
• b: 5.6343 ± 0.0013 Å
• c: 18.694 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1492.2 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No