Information card for entry 2219068

Structure parameters

• Chemical name: Methyl 2-(7-benzyloxy-1-naphthyl)-2-oxoacetate
• Formula: C20 H16 O4
• Calculated formula: C20 H16 O4
• SMILES: O(c1ccc2cccc(c2c1)C(=O)C(=O)OC)Cc1ccccc1
• Title of publication: Methyl 2-(7-benzyloxy-1-naphthyl)-2-oxoacetate
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Li, Shu-Xian; Li, Hua-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1409
• a: 5.6145 ± 0.0003 Å
• b: 15.7422 ± 0.0008 Å
• c: 17.3843 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1536.5 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0375
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes