Information card for entry 1520388

Structure parameters

• Formula: C22 H19 N O2
• Calculated formula: C22 H19 N O2
• SMILES: C1CC[C@H]2N1[C@H]1[C@@](c3ccccc3)(O2)Oc2c1c1c(cc2)cccc1
• Title of publication: 2-Oxo Driven Unconventional reactions: Microwave Assisted Approaches to Tetrahydrofuro[3,2-d]oxazoles and Furanones.
• Authors of publication: Battini, Narsaiah; Battula, Satyanarayana; Kumar, Raju Ranjith; Ahmed, Qazi Naveed
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 2992 - 2995
• a: 8.6008 ± 0.0011 Å
• b: 10.6881 ± 0.0012 Å
• c: 18.1 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1663.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0697
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No