Information card for entry 1503042

Structure parameters

• Formula: C25 H19 N O5
• Calculated formula: C25 H19 N O5
• SMILES: c1(ccc(cc1)c1c(c2ccccc2)oc(c2ccccc2)c1C(=O)OCC)N(=O)=O
• Title of publication: Preparation of tetrasubstituted furans via intramolecular Wittig reactions with phosphorus ylides as intermediates.
• Authors of publication: Kao, Tzu-Ting; Syu, Siang-en; Jhang, Yi-Wun; Lin, Wenwei
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 13
• Pages of publication: 3066 - 3069
• a: 12.2495 ± 0.0014 Å
• b: 9.5744 ± 0.0011 Å
• c: 17.716 ± 0.002 Å
• α: 90°
• β: 103.227 ± 0.003°
• γ: 90°
• Cell volume: 2022.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0462
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No