Information card for entry 7114457

Structure parameters

• Formula: C17 H20 N2 O4
• Calculated formula: C17 H20 N2 O4
• SMILES: O=C(N1[C@]2(CCCC1)CCC[C@@H]1O[C@H]21)c1ccc(N(=O)=O)cc1.O=C(N1[C@@]2(CCCC1)CCC[C@H]1O[C@@H]21)c1ccc(N(=O)=O)cc1
• Title of publication: A new approach to functionalised spiropiperidines through tandem RCM and nitrogen-directed reactionsElectronic supplementary information available: experimental procedures and data for all new compounds. See http://www.rsc.org/suppdata/cc/b2/b203851j/
• Authors of publication: Edwards, Andrew S.; Wybrow, Robert A. J.; Johnstone, Craig; Adams, Harry; Harrity, Joseph P. A.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 14
• Pages of publication: 1542
• a: 11.882 ± 0.003 Å
• b: 9.5188 ± 0.0019 Å
• c: 13.7 ± 0.003 Å
• α: 90°
• β: 97.16 ± 0.004°
• γ: 90°
• Cell volume: 1537.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.2047
• Weighted residual factors for all reflections included in the refinement: 0.227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No