Information card for entry 2201829

Structure parameters

• Chemical name: E-azulenecarboxaldehyde oxime
• Formula: C11 H9 N O
• Calculated formula: C11 H9 N O
• SMILES: C1(C=NO)C=CC2=CC=CC=CC=12
• Title of publication: (<i>E</i>)-Azulene-1-carboxaldehyde oxime
• Authors of publication: Kedziorek Mariusz; Hafner, Klaus; Lindner, Hans J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o860 - o861
• a: 16.931 ± 0.003 Å
• b: 6.174 ± 0.002 Å
• c: 17.028 ± 0.005 Å
• α: 90°
• β: 94 ± 0.02°
• γ: 90°
• Cell volume: 1775.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1667
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes