Information card for entry 4506299

Structure parameters

• Common name: HMX - 3,4-diaminotoluene
• Chemical name: 1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - 3,4-diaminotoluene
• Formula: C11 H18 N10 O8
• Calculated formula: C11 H18 N10 O8
• 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: 11.4367 ± 0.001 Å
• b: 18.7309 ± 0.0015 Å
• c: 7.8305 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1677.4 ± 0.2 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No