Information card for entry 2208459

Structure parameters

• Common name: 9,9-Bis(ethoxycarbonylethyl)-9H-fluorene
• Chemical name: diethyl 3,3'-(9H-fluorene-9,9-diyl)dipropionate
• Formula: C23 H26 O4
• Calculated formula: C23 H26 O4
• SMILES: c12ccccc1c1ccccc1C2(CCC(=O)OCC)CCC(=O)OCC
• Title of publication: 9,9-Bis(ethoxycarbonylethyl)-9<i>H</i>-fluorene
• Authors of publication: Hu, Wei-Bing; Liu, Hong-Xia; Tian, Da-Ting; Liu, Cheng-Mei; Liu, Zu-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1105 - o1106
• a: 10.8464 ± 0.0007 Å
• b: 16.9377 ± 0.0011 Å
• c: 22.2437 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4086.5 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 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: 0.083
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes