Information card for entry 2223692

Structure parameters

• Chemical name: (5<i>R</i>)-Ethyl 6-benzyl-8,8-dimethyl-7,9-dioxo-1-oxa-2,6-diazaspiro[4.4]non-2-ene-3-carboxylate
• Formula: C18 H20 N2 O5
• Calculated formula: C18 H20 N2 O5
• SMILES: O=C1N(Cc2ccccc2)C2(ON=C(C2)C(=O)OCC)C(=O)C1(C)C
• Title of publication: (5<i>R</i>)-Ethyl 6-benzyl-8,8-dimethyl-7,9-dioxo-1-oxa-2,6-diazaspiro[4.4]non-2-ene-3-carboxylate
• Authors of publication: Bathich, Yaser; Mohammat, Mohd Fazli; Hamzah, Ahmad Sazali; Goh, Jia Hao; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2888 - o2889
• a: 5.5727 ± 0.0001 Å
• b: 10.8497 ± 0.0001 Å
• c: 14.2803 ± 0.0002 Å
• α: 100.911 ± 0.001°
• β: 96.532 ± 0.001°
• γ: 90.237 ± 0.001°
• Cell volume: 842.01 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.056
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes