Information card for entry 2226150

Structure parameters

• Chemical name: 4-(3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-2-methoxyphenol
• Formula: C18 H21 N O3
• Calculated formula: C18 H21 N O3
• SMILES: Oc1ccc(cc1OC)[C@@H]1O[C@H]([C@@H](N1C)C)c1ccccc1
• Title of publication: 4-(3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-2-methoxyphenol
• Authors of publication: Asaruddin, Mohd Razip; Wahab, Habibah A.; Mohamed, Nornisah; Goh, Jia Hao; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1452 - o1453
• a: 7.8893 ± 0.0006 Å
• b: 11.7697 ± 0.0009 Å
• c: 17.4392 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1619.3 ± 0.2 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.074
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes