Information card for entry 8102490

Structure parameters

• Formula: C11 H11 N3 O2
• Calculated formula: C11 H11 N3 O2
• Title of publication: Crystal structure of 3-(4-azidophenyl)pentane-2,4-dione, C11H11N3O2
• Authors of publication: Michael Hummel; Egon Rubatscher; Klaus Wurst; Gerhard Laus; Peter Jaitner; Herwig Schottenberger
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 665
• a: 7.4695 ± 0.0007 Å
• b: 10.6088 ± 0.0006 Å
• c: 14.071 ± 0.0009 Å
• α: 92.586 ± 0.005°
• β: 101.138 ± 0.003°
• γ: 91.651 ± 0.005°
• Cell volume: 1092.1 ± 0.14 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 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: 0.0911
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No