Information card for entry 2200299

Structure parameters

• Chemical name: 4,5,6,9-tetramethoxy-11-phenyl-10-oxa-11-aza-tricyclo[7.2.2.0 2,7] trideca-2(7),3,5,12-tetraen-8-one
• Formula: C21 H21 N O6
• Calculated formula: C21 H21 N O6
• SMILES: c12c(c(c(cc1[C@H]1C=C[C@](ON1c1ccccc1)(C2=O)OC)OC)OC)OC.c12c(c(c(cc1[C@@H]1C=C[C@@](ON1c1ccccc1)(C2=O)OC)OC)OC)OC
• Title of publication: 4,5,6,9-Tetramethoxy-11-phenyl-10-oxa-11-azatricyclo[7.2.2.0^2,7^]trideca-2(7),3,5,12-tetraen-8-one
• Authors of publication: Russi, Silvia; Mombrú, Alvaro W.; Gamenara, Daniela; Dias, Eduardo; Heinzen, Horacio; Moyna, Patrick; Faccio, Ricardo; Suescun, Leopoldo; Mariezcurrena, Raúl A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: o444 - o446
• a: 13.495 ± 0.002 Å
• b: 10.2178 ± 0.0018 Å
• c: 15.154 ± 0.003 Å
• α: 90°
• β: 115.956 ± 0.014°
• γ: 90°
• Cell volume: 1878.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes