Information card for entry 2202169

Structure parameters

• Chemical name: 1-(12-benzoyl-10-oxa-12-azatetracyclo[6.3.1.0^2,7^.0^9,11^] dodeca-2,4,6-trien-1-yl)ethan-1-one
• Formula: C19 H15 N O3
• Calculated formula: C19 H15 N O3
• SMILES: O1[C@H]2[C@H]3N([C@](c4ccccc34)([C@@H]12)C(=O)C)C(=O)c1ccccc1
• Title of publication: 1-(12-Benzoyl-10-oxa-12-azatetracyclo[6.3.1.0^2,7^.0^9,11^]dodeca-2,4,6-trien-1-yl)ethan-1-one
• Authors of publication: Sema Öztürk; Mehmet Akkurt; Ebubekír Tepe; Frank W. Heinemann; Alíye (Alaylı) Altundaş; Yunus Kara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o635 - o637
• a: 7.829 ± 0.001 Å
• b: 13.874 ± 0.001 Å
• c: 14.079 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1529.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No