Information card for entry 2223913

Structure parameters

• Chemical name: 6-Benzyl-3-(1,4-dioxaspiro[4.5]decan-2-yl)-8,8-dimethyl-1-oxa-2,6- diazaspiro[4.4]nonan-7,9-dione
• Formula: C23 H28 N2 O5
• Calculated formula: C23 H28 N2 O5
• SMILES: O=C1N(Cc2ccccc2)[C@@]2(ON=C(C2)[C@@H]2OC3(OC2)CCCCC3)C(=O)C1(C)C
• Title of publication: 6-Benzyl-3-(1,4-dioxaspiro[4.5]decan-2-yl)-8,8-dimethyl-1-oxa-2,6-diazaspiro[4.4]non-2-ene-7,9-dione
• Authors of publication: Bathich, Yaser; Shaameri, Zurina; Hamzah, Ahmad Sazali; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2941 - o2942
• a: 9.8666 ± 0.0002 Å
• b: 11.1565 ± 0.0003 Å
• c: 18.4884 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2035.14 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0488
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes