Information card for entry 2240874

Structure parameters

• Chemical name: Ethyl (4<i>R</i>)-2-amino-7-hydroxy-4-phenyl-4<i>H</i>-chromene-3-carboxylate
• Formula: C18 H17 N O4
• Calculated formula: C18 H17 N O4
• Title of publication: Crystal structure of ethyl (4<i>R</i>)-2-amino-7-hydroxy-4-phenyl-4<i>H</i>-chromene-3-carboxylate
• Authors of publication: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: o519 - o520
• a: 31.5071 ± 0.0007 Å
• b: 5.8582 ± 0.0001 Å
• c: 21.2249 ± 0.0005 Å
• α: 90°
• β: 130.18 ± 0.001°
• γ: 90°
• Cell volume: 2993.12 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes