Information card for entry 1508278

Structure parameters

• Formula: C24 H18 F I O2
• Calculated formula: C24 H18 F I O2
• SMILES: Fc1cc2c(cc(I)c3c4c(C(O)(c23)c2ccccc2)cccc4)cc1.OC
• Title of publication: Novel silver tetrafluoroborate catalyzed electrophilic cascade cyclization reaction: a facile approach to the synthesis of halo-substituted benzo[a]fluorenols.
• Authors of publication: Chen, Zhiyuan; Zeng, Mengjing; Yuan, Jianjun; Yang, Qin; Peng, Yiyuan
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 3588 - 3591
• a: 9.566 ± 0.008 Å
• b: 9.734 ± 0.009 Å
• c: 11.985 ± 0.008 Å
• α: 105.07 ± 0.05°
• β: 98.08 ± 0.05°
• γ: 102.89 ± 0.05°
• Cell volume: 1026.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2173
• Weighted residual factors for all reflections included in the refinement: 0.2344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No