Information card for entry 4031316

Structure parameters

• Formula: C24 H15 F
• Calculated formula: C24 H15 F
• SMILES: c12c(c3c(c(c2)c2ccc(F)cc2)c2c(cc3)cccc2)cccc1
• Title of publication: Brønsted Acid-Promoted One-Pot Synthesis of Chrysene Derivatives via Isochromenylium Intermediate Formed in Situ.
• Authors of publication: Guo, Biao; Zhou, Yiming; Zhang, Lei; Hua, Ruimao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 15
• Pages of publication: 7635 - 7641
• a: 5.789 ± 0.0004 Å
• b: 11.4354 ± 0.0009 Å
• c: 23.674 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1567.2 ± 0.3 ų
• Cell temperature: 100.2 K
• Ambient diffraction temperature: 100.2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No