Information card for entry 7150922

Structure parameters

• Common name: 11-Hydroxy-4,5(1',3')-propylene-8,13-diaza- tricyclo(7.3.1.0$2,7!)trideca-2(7),3,5,10-tetraene-8,10,13- tricarboxylic acid trimethyl ester
• Chemical name: 11-Hydroxy-4,5(1',3')-propylene-8,13-diaza- tricyclo[7.3.1.0^2,7^]trideca-2(7),3,5,10-tetraene-8,10,13- tricarboxylic acid trimethyl ester
• Formula: C20 H22 N2 O7
• Calculated formula: C20 H22 N2 O7
• Title of publication: Synthesis of 3,4-benzo-7-hydroxy-2,9-diazabicyclo[3.3.1]non-7-enes by cyclization of 1,3-bis(silyl enol ethers) with quinazolines
• Authors of publication: Karapetyan, Vahuni; Mkrtchyan, Satenik; Schmidt, Andreas; Gütlein, Jörg-Peter; Villinger, Alexander; Reinke, Helmut; Jiao, Haijun; Fischer, Christine; Langer, Peter
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 16
• Pages of publication: 2961 - 2968
• a: 8.2926 ± 0.0002 Å
• b: 8.4322 ± 0.0002 Å
• c: 13.9059 ± 0.0003 Å
• α: 91.236 ± 0.001°
• β: 98.845 ± 0.001°
• γ: 95.885 ± 0.001°
• Cell volume: 955.05 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No