Information card for entry 4506302

Structure parameters

• Common name: HMX - 2-pyrrolidone
• Chemical name: 1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - 2-pyrrolidone
• Formula: C8 H15 N9 O9
• Calculated formula: C8 H15 N9 O9
• Title of publication: Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)
• Authors of publication: Landenberger, Kira B.; Matzger, Adam J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 3603
• a: 15.8469 ± 0.0006 Å
• b: 15.8469 ± 0.0006 Å
• c: 10.5371 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2291.6 ± 0.2 ų
• Cell temperature: 85 K
• Ambient diffraction temperature: 85 K
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No