Information card for entry 2240492

Structure parameters

• Common name: 9-methacryloylanthracene
• Chemical name: 1-(Anthracen-9-yl)-2-methylprop-2-en-1-one
• Formula: C18 H14 O
• Calculated formula: C18 H14 O
• SMILES: O=C(c1c2ccccc2cc2ccccc12)C(=C)C
• Title of publication: Crystal structure of 9-methacryloylanthracene
• Authors of publication: Agrahari, Aditya; Wagers, Patrick O.; Schildcrout, Steven M.; Masnovi, John; Youngs, Wiley J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: 357 - 359
• a: 8.7602 ± 0.0005 Å
• b: 9.1784 ± 0.0005 Å
• c: 9.2032 ± 0.0005 Å
• α: 67.206 ± 0.002°
• β: 71.67 ± 0.003°
• γ: 75.195 ± 0.002°
• Cell volume: 639.98 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes