Information card for entry 1519405

Structure parameters

• Formula: C26 H20 O3
• Calculated formula: C26 H20 O3
• SMILES: O=C1Oc2c([C@H](C1)c1ccc(OC)cc1)c1c(cc2c2ccccc2)cccc1
• Title of publication: Enantioselective annulation of enals with 2-naphthols by triazolium salts derived froml-phenylalanine
• Authors of publication: Li, Guo-Tai; Gu, Qing; You, Shu-Li
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 4273
• a: 5.8732 ± 0.0017 Å
• b: 11.684 ± 0.003 Å
• c: 28.383 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1947.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0688
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No