Information card for entry 7151474

Structure parameters

• Formula: C15 H25 N3 O5
• Calculated formula: C15 H25 N3 O5
• SMILES: O=C1NN=CC[C@@H]1[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• Title of publication: ?-Lactams as versatile synthons for homochiral ibotenate analogues with potential for activity at glutamate receptors1
• Authors of publication: Hitchcock, Peter B.; Papadopoulos, Konstantinos; Young, Douglas W.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 15
• Pages of publication: 2670
• a: 10.2189 ± 0.0003 Å
• b: 15.3206 ± 0.0005 Å
• c: 27.7208 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4340 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.2092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No