Information card for entry 4020461

Structure parameters

• Formula: C10 H10 Br2 N2 O5
• Calculated formula: C10 H10 Br2 N2 O5
• SMILES: Brc1c(OC)c(Br)c(O)c(c1)CC(=NO)C(=O)NO
• Authors of publication: J. Jonathan Harburn; Nigam P. Rath; Christopher D. Spilling
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6398 - 6403
• a: 38.2555 ± 0.001 Å
• b: 4.6699 ± 0.0001 Å
• c: 14.6279 ± 0.0004 Å
• α: 90°
• β: 94.597 ± 0.002°
• γ: 90°
• Cell volume: 2604.86 ± 0.11 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No