Information card for entry 2219858

Structure parameters

• Chemical name: 2,2-Dimethyl-2,3-dihydropyrano[2,3-<i>a</i>]carbazol-4(11<i>H</i>)-one
• Formula: C17 H15 N O2
• Calculated formula: C17 H15 N O2
• SMILES: c12ccccc1c1ccc3c(c1[nH]2)OC(CC3=O)(C)C
• Title of publication: 2,2-Dimethyl-2,3-dihydropyrano[2,3-<i>a</i>]carbazol-4(11<i>H</i>)-one
• Authors of publication: Sridharan, Makuteswaran; Prasad, Karnam J. Rajendra; Ngendahimana, Aimable; Zeller, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2155
• a: 5.9926 ± 0.0005 Å
• b: 14.3368 ± 0.0012 Å
• c: 15.6839 ± 0.0013 Å
• α: 90°
• β: 95.27 ± 0.001°
• γ: 90°
• Cell volume: 1341.78 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0503
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes