Information card for entry 2202672

Structure parameters

• Chemical name: 9-(meta-tert-Butylphenyl)-9-fluorenol
• Formula: C23 H22 O
• Calculated formula: C23 H22 O
• SMILES: OC1(c2c(c3ccccc13)cccc2)c1cc(ccc1)C(C)(C)C
• Title of publication: 9-(<i>meta</i>-<i>tert</i>-Butylphenyl)-9-fluorenol
• Authors of publication: Meyers, Cal Y.; McLean, Aaron W.; Robinson, Paul D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o978 - o980
• a: 22.123 ± 0.005 Å
• b: 24.203 ± 0.003 Å
• c: 6.676 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3575 ± 2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• 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: 0.152
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes