Information card for entry 7100462

Structure parameters

• Formula: C10 H14 N2 O4
• Calculated formula: C10 H14 N2 O4
• SMILES: O=C1C=C([O-])C(=CC1=[NH+]CCO)NCCO
• Title of publication: First Transamination Reactions for the One-Pot Synthesis of Substituted Zwitterionic Quinones
• Authors of publication: Qing-Zheng Yang.; Olivier Siri; Pierre Braunstein
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 5.231 ± 0.001 Å
• b: 9.857 ± 0.001 Å
• c: 10.517 ± 0.001 Å
• α: 74.67 ± 0.05°
• β: 76.63 ± 0.05°
• γ: 85.42 ± 0.05°
• Cell volume: 508.71 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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