Information card for entry 5000154

Structure parameters

• Formula: C5 H8 N4 O12
• Calculated formula: C9 H16 N8 O24
• Title of publication: Pentaerythritol tetranitrate II: its crystal structure and transformation to PETN I; an algorithm for refinement of crystal structures with poor data
• Authors of publication: Cady, H. H.; Larson, A. C.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1975
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 1864 - 1869
• a: 13.29 Å
• b: 13.49 Å
• c: 6.83 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1224.5 ų
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P c n b
• Hall space group symbol: -P 2b 2ac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No