Information card for entry 7017154

Structure parameters

• Formula: C22 H15 N O
• Calculated formula: C22 H15 N O
• SMILES: O=C(/C=C/c1c2ccccc2cc2ccccc12)c1ccncc1
• Title of publication: 9-Anthracenyl-substitued pyridyl enones revisited: photoisomerism in ligands and silver(i) complexes.
• Authors of publication: Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12146 - 12152
• a: 10.5404 ± 0.0016 Å
• b: 12.2631 ± 0.0019 Å
• c: 14.022 ± 0.002 Å
• α: 64.884 ± 0.011°
• β: 77.234 ± 0.012°
• γ: 70.989 ± 0.012°
• Cell volume: 1544.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0436
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No