Information card for entry 4020424

Structure parameters

• Formula: C12 H15 N O3
• Calculated formula: C12 H15 N O3
• SMILES: C1(C2=CC(=N)OC2(C)C)C(C)(C)OC(=O)C=1
• Authors of publication: Shengming Ma; Zhenhua Gu; Zhanqian Yu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6291 - 6294
• a: 16.8651 ± 0.0017 Å
• b: 8.9696 ± 0.001 Å
• c: 7.6142 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1151.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No