Information card for entry 2011607

Structure parameters

• Chemical name: sp-9-methyl-9-pivaloylfluorene
• Formula: C19 H20 O
• Calculated formula: C19 H20 O
• SMILES: O=C(C1(C)c2ccccc2c2c1cccc2)C(C)(C)C
• Title of publication: The surprising <i>sp</i> rotameric structure of 9-methyl-9-pivaloylfluorene
• Authors of publication: Meyers, Cal Y.; Lutfi, Hisham G.; Varol, Pninit; Hou, Yuqing; Robinson, Paul D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1468 - 1470
• a: 13.908 ± 0.002 Å
• b: 15.3513 ± 0.0018 Å
• c: 7.186 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1534.3 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes