Information card for entry 7203944

Structure parameters

• Common name: Ro 67-3926
• Chemical name: 3-Hydroxy-2-hydroxymethyl-10-phenyl-2,3,9,10-tetrahydro-1- oxa-9-aza-anthrazen-4-one
• Formula: C19 H17 N O4
• Calculated formula: C19 H17 N O4
• Title of publication: Carbohydrate α-oxoketene N,O-ketals in the synthesis of dihydroquinolines
• Authors of publication: Scheffler, Götz; Montavon, Francois; Hennig, Michael; Wessel, Hans Peter
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 753
• a: 7.046 ± 0.001 Å
• b: 7.204 ± 0.001 Å
• c: 31.591 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1603.5 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No