Information card for entry 2213082

Structure parameters

• Common name: heterofused carbazole
• Chemical name: 1-Oxo-1,2-dihydro-1,4-oxazino[2,3,4-jk]carbazole-4-carbaldehyde
• Formula: C15 H9 N O3
• Calculated formula: C15 H9 N O3
• SMILES: O=C1n2c3c(c4ccc(c(OC1)c24)C=O)cccc3
• Title of publication: 1-Oxo-1,2-dihydro-1,4-oxazino[2,3,4-<i>jk</i>]carbazole-4-carbaldehyde
• Authors of publication: A. Thomas Gunaseelan; A. Thiruvalluvar; A. Ebenezer Martin; K. J. Rajendra Prasad; R. J. Butcher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2410 - o2412
• a: 6.811 ± 0.002 Å
• b: 8.751 ± 0.002 Å
• c: 10.066 ± 0.004 Å
• α: 111.84 ± 0.03°
• β: 100.31 ± 0.03°
• γ: 91.98 ± 0.03°
• Cell volume: 544.5 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.1137
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.816
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes