Information card for entry 4020673

Structure parameters

• Formula: C16 H22 N3 O3
• Calculated formula: C16 H22 N3 O3
• SMILES: O=[N]1C(N=C(C1(C)C)N(c1ccccc1)CC(=O)OC)(C)C
• Title of publication: Synthesis, Structure, and X-Band (9.5 GHz) EPR Characterization of the New Series of pH-Sensitive Spin Probes: N,N-Disubstituted 4-Amino-2,2,5,5-tetramethyl-3-imidazoline 1-Oxyls
• Authors of publication: Maxim A. Voinov; Julya F. Polienko; Thomas Schanding; Andrey A. Bobko; Valery V. Khramtsov; Yury V. Gatilov; Tatyana V. Rybalova; Alex I. Smirnov; Igor A. Grigor'ev
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 9702 - 9711
• a: 17.431 ± 0.003 Å
• b: 9.0482 ± 0.0013 Å
• c: 11.2508 ± 0.0016 Å
• α: 90°
• β: 105.479 ± 0.011°
• γ: 90°
• Cell volume: 1710.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No