Information card for entry 5000148

Structure parameters

• Formula: C3 H6 N6 O6
• Calculated formula: C3 H6 N6 O6
• Title of publication: The crystal structure of cyclotrimethylenetrinitramine
• Authors of publication: Choi, C. S.; Prince, E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1972
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 2857 - 2862
• a: 13.182 ± 0.002 Å
• b: 11.574 ± 0.002 Å
• c: 10.709 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1633.86 ų
• 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No