Information card for entry 4512178

Structure parameters

• Formula: C4 H6 N4 O12
• Calculated formula: C4 H6 N4 O12
• Title of publication: Crystal Structure, Packing Analysis, and Structural-Sensitivity Correlations of Erythritol Tetranitrate
• Authors of publication: Manner, Virginia W.; Tappan, Bryce C.; Scott, Brian L.; Preston, Daniel N.; Brown, Geoffrey W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 6154
• a: 15.893 ± 0.006 Å
• b: 5.1595 ± 0.0019 Å
• c: 14.731 ± 0.005 Å
• α: 90°
• β: 116.161 ± 0.003°
• γ: 90°
• Cell volume: 1084.2 ± 0.7 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No