Information card for entry 5000149

Structure parameters

• Formula: C6 H3 N3 O6
• Calculated formula: C6 N3 O6
• Title of publication: Substituent crowding in nitrobenzenes
• Authors of publication: Laerdahl, Jon K.; Fægri, Knut; Rømming, Christian; Swang, Ole; Midtgård, Tonje; Schöffel, Klaus
• Journal of publication: Journal of Molecular Structure
• Year of publication: 1998
• Journal volume: 445
• Journal issue: 1-3
• Pages of publication: 89 - 98
• a: 14.065 ± 0.001 Å
• b: 5.67 ± 0.001 Å
• c: 9.896 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 789.19 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