Information card for entry 4020819

Structure parameters

• Formula: C6 H12 N2 O5
• Calculated formula: C6 H12 N2 O5
• SMILES: OCC(N(=O)=O)(C(N(=O)=O)(C)C)C
• Title of publication: Preparation and Characterization of New Chiral Nitronyl Nitroxides Bearing a Stereogenic Center in the Imidazolyl Framework
• Authors of publication: Satoshi Shimono; Rui Tamura; Naohiko Ikuma; Tatsuya Takimoto; Naoyuki Kawame; Osamu Tamada; Naoko Sakai; Hiroaki Matsuura; Jun Yamauchi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 475 - 481
• a: 6.3512 ± 0.0002 Å
• b: 19.182 ± 0.001 Å
• c: 22.116 ± 0.0009 Å
• α: 90°
• β: 91.623 ± 0.003°
• γ: 90°
• Cell volume: 2693.3 ± 0.2 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No