Information card for entry 2243922

Structure parameters

• Chemical name: 9,9-Diethylfluorene-2,4,7-tricarbaldehyde
• Formula: C20 H18 O3
• Calculated formula: C20 H18 O3
• SMILES: O=Cc1cc2C(c3cc(ccc3c2c(c1)C=O)C=O)(CC)CC
• Title of publication: Crystal structure of 9,9-diethyl-9<i>H</i>-fluorene-2,4,7-tricarbaldehyde
• Authors of publication: Seidel, Pierre; Schwarzer, Anke; Mazik, Monika
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 10
• Pages of publication: 1 - 0
• a: 15.6595 ± 0.0009 Å
• b: 13.1466 ± 0.0014 Å
• c: 7.6834 ± 0.0015 Å
• α: 90°
• β: 93.146 ± 0.009°
• γ: 90°
• Cell volume: 1579.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes