Information card for entry 7216908

Structure parameters

• Formula: C21 H35 N3 O9
• Calculated formula: C21 H35 N3 O9
• SMILES: N1(C(CC1=O)[N+](CC)(CC)CC)C(=C([O-])CC)C(=O)OCc1ccc(cc1)N(=O)=O.O.O.O
• Title of publication: The azomethine ylide strategy for β-lactam synthesis. An evaluation of alternative pathways for azomethine ylide generation
• Authors of publication: Brown, Giles A.; Martel, Sarah R.; Wisedale, Richard; Charmant, Jonathan P. H.; Hales, Neil J.; Fishwick, Colin W. G.; Gallagher, Timothy
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 11
• Pages of publication: 1281
• a: 8.014 ± 0.004 Å
• b: 8.438 ± 0.004 Å
• c: 18.463 ± 0.01 Å
• α: 89.99 ± 0.02°
• β: 82.22 ± 0.04°
• γ: 78.06 ± 0.04°
• Cell volume: 1209.8 ± 1.1 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
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.0862
• Goodness-of-fit parameter for all reflections: 0.965
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No