Information card for entry 1508277

Structure parameters

• Formula: C23 H15 I O
• Calculated formula: C23 H15 I O
• SMILES: Ic1c2c3c(cccc3)C(O)(c2c2c(c1)cccc2)c1ccccc1
• 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: 18.199 ± 0.005 Å
• b: 26.703 ± 0.008 Å
• c: 7.364 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3578.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2521
• Weighted residual factors for all reflections included in the refinement: 0.2632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No