Information card for entry 4021993

Structure parameters

• Formula: C24 H29 F
• Calculated formula: C24 H29 F
• SMILES: c1c(F)cc(c2c3ccccc3ccc12)CCCCCCCCCC
• Title of publication: A Simple, Two-Step, Site-Specific Preparation of Fluorinated Naphthalene and Phenanthrene Derivatives from Fluorobromo-Substituted Alkenes
• Authors of publication: Yi Wang; Jianjun Xu; Donald J. Burton
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 7780 - 7784
• a: 8.9899 ± 0.0009 Å
• b: 10.4965 ± 0.001 Å
• c: 11.5357 ± 0.0011 Å
• α: 67.726 ± 0.005°
• β: 72.898 ± 0.005°
• γ: 88.678 ± 0.005°
• Cell volume: 957.95 ± 0.16 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No