Information card for entry 2006059

Structure parameters

• Chemical name: 2-Phenyl-4-(9'-fluorenoxy)-1(2H)-phthalazinone
• Formula: C27 H18 N2 O2
• Calculated formula: C27 H18 N2 O2
• SMILES: O=c1n(nc(OC2c3c(c4ccccc24)cccc3)c2ccccc12)c1ccccc1
• Title of publication: 4-(9-Fluorenoxy)-2-phenylphthalazin-1(2<i>H</i>)-one
• Authors of publication: Bausch, M. J.; Robinson, P. D.; Gong, Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 517 - 519
• a: 10.1662 ± 0.0016 Å
• b: 12.404 ± 0.003 Å
• c: 9.0923 ± 0.0014 Å
• α: 100.677 ± 0.015°
• β: 102.334 ± 0.012°
• γ: 111.728 ± 0.014°
• Cell volume: 995.4 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0898
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.1097
• Weighted residual factors for significantly intense reflections: 0.0863
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No