Information card for entry 2207912

Structure parameters

• Formula: C22 H17 N O3
• Calculated formula: C22 H17 N O3
• SMILES: [C@@]12(c3ccccc3C(=O)O2)C[C@H](c2ccccc2)N(c2ccccc2)O1.[C@]12(c3ccccc3C(=O)O2)C[C@@H](c2ccccc2)N(c2ccccc2)O1
• Title of publication: 2,3-Diphenyl-2,3-dihydrospiro[1,3-oxazole-5(4<i>H</i>),1'(3'<i>H</i>)-2-benzofuran]-3'-one
• Authors of publication: Daran, Jean-Claude; Fihi, Rachid; Roussel, Christophe; Laghrib, Naoual; Azrour, Mohamed; Ciamala, Kabula; Vebreld, Jöel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o329 - o331
• a: 5.1476 ± 0.0006 Å
• b: 15.3139 ± 0.0018 Å
• c: 21.653 ± 0.003 Å
• α: 90°
• β: 91.365 ± 0.01°
• γ: 90°
• Cell volume: 1706.4 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes