Information card for entry 2240397

Structure parameters

• Common name: Ethyl 5-methoxy-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0^2,7^]trideca-2(7),3,5-triene-13-carboxylate
• Chemical name: Ethyl (2<i>S</i>)-9-methoxy-2-methyl-4-oxo-3,4,5,6-tetrahydro-2<i>H</i>- 2,6-methanobenzo[<i>g</i>][1,3,5]oxadiazocine-11-carboxylate
• Formula: C15 H18 N2 O5
• Calculated formula: C15 H18 N2 O5
• SMILES: c1(cc2c(cc1)[C@@H]1[C@H]([C@@](C)(NC(=O)N1)O2)C(=O)OCC)OC
• Title of publication: Crystal structure of ethyl (2<i>S</i>)-9-methoxy-2-methyl-4-oxo-3,4,5,6-tetrahydro-2<i>H</i>- 2,6-methanobenzo[<i>g</i>][1,3,5]oxadiazocine-11-carboxylate
• Authors of publication: Dhandapani, A.; Manivarman, S.; Subashchandrabose, S.; Gunasekaran, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: o117 - o118
• a: 9.6982 ± 0.0014 Å
• b: 7.4802 ± 0.0012 Å
• c: 10.8293 ± 0.0017 Å
• α: 90°
• β: 111.252 ± 0.005°
• γ: 90°
• Cell volume: 732.2 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes