Information card for entry 2006375

Structure parameters

• Chemical name: 1,8-Diiodo-10-hydroxy-10-(3-methyl-but-3-en-1-ynyl)-10H-anthracen-9-one
• Formula: C19 H12 I2 O2
• Calculated formula: C19 H12 I2 O2
• SMILES: CC(=C)C#CC1(O)c2cccc(c2C(=O)c2c1cccc2I)I
• Title of publication: A Diiodo-Substituted 9-Anthracenone
• Authors of publication: Thalji, Reema K.; Garcia, Gabriel; Asfaw, Bruktawit; Rodriguez, Augusto; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1138 - 1139
• a: 15.117 ± 0.001 Å
• b: 14.4592 ± 0.0006 Å
• c: 15.8539 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3465.3 ± 0.3 ų
• Cell temperature: 297 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P b c a
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for significantly intense reflections: 1.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No