Information card for entry 2008247

Structure parameters

• Formula: C9 H13 N O3
• Calculated formula: C9 H13 N O3
• SMILES: CCCC1(C(=O)O)CCCC(N1)=O
• Title of publication: Two new spiro lactam-lactones
• Authors of publication: Zukerman-Schpector, J.; Biaggio, Francisco C.; Rufino, Alessandra R.; Caracelli, I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 416 - 419
• a: 11.009 ± 0.002 Å
• b: 5.949 ± 0.001 Å
• c: 14.466 ± 0.003 Å
• α: 90°
• β: 105.66 ± 0.01°
• γ: 90°
• Cell volume: 912.2 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1783
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for all reflections: 0.2297
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No