Information card for entry 2011488

Structure parameters

• Chemical name: 9-(2',2'-dimethyl-1'-pivaloxypropylidine)fluorene
• Formula: C23 H26 O2
• Calculated formula: C23 H26 O2
• SMILES: O(/C(=C1/c2c(c3ccccc13)cccc2)C(C)(C)C)C(=O)C(C)(C)C
• Title of publication: Unexpected dipivaloylation of 9-lithiated fluorene: formation of 1-(fluoren-9-ylidene)-2,2-dimethylpropyl pivalate
• Authors of publication: Robinson, Paul D.; Lutfi, Hisham G.; Hou, Yuqing; Meyers, Cal Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 1380 - 1382
• a: 11.1247 ± 0.0015 Å
• b: 10.4604 ± 0.001 Å
• c: 16.6259 ± 0.0014 Å
• α: 90°
• β: 93.951 ± 0.009°
• γ: 90°
• Cell volume: 1930.1 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes