Information card for entry 4020281

Structure parameters

• Formula: C17 H17 N O8
• Calculated formula: C17 H17 N O8
• SMILES: O(C(OCc1occc1)(OCc1occc1)CN(=O)=O)Cc1occc1
• Authors of publication: Hulluri, Surya Prakash Rao; Shanmugam, Sivakumar
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 4524 - 4527
• a: 9.169 ± 0.003 Å
• b: 9.702 ± 0.003 Å
• c: 10.523 ± 0.004 Å
• α: 92.443 ± 0.005°
• β: 93.616 ± 0.005°
• γ: 112.089 ± 0.005°
• Cell volume: 863.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No