Information card for entry 5000107

Structure parameters

• Formula: C7 H5 N3 O6
• Calculated formula: C7 H5 N3 O6
• Title of publication: Molecular structure of 2,4,6-trinitrotoluene
• Authors of publication: Carper, W. Robert; Davis, Larry P.; Extine, Michael W.
• Journal of publication: The Journal of Physical Chemistry
• Year of publication: 1982
• Journal volume: 86
• Journal issue: 4
• Pages of publication: 459 - 462
• a: 14.991 ± 0.001 Å
• b: 6.077 ± 0.001 Å
• c: 20.017 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1823.55 ų
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No