Information card for entry 2011845

Structure parameters

• Chemical name: 9-(1-Acetoxyethylidene)fluorene
• Formula: C17 H14 O2
• Calculated formula: C17 H14 O2
• SMILES: O(C(=C1/c2c(c3ccccc13)cccc2)/C)C(=O)C
• Title of publication: 9-(1-Acetoxyethylidene)fluorene (`diacetylfluorene'), a by-product from the acetylation of 9-fluorenyllithium
• Authors of publication: Robinson, Paul D.; Lutfi, Hisham G.; Hou, Yuqing; Meyers, Cal Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 428 - 430
• a: 9.8818 ± 0.0017 Å
• b: 27.375 ± 0.006 Å
• c: 9.811 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2654 ± 0.8 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.143
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes