Information card for entry 2207042

Structure parameters

• Chemical name: 9,9-bis(methoxycarbonylethyl)fluorene
• Formula: C21 H22 O4
• Calculated formula: C21 H22 O4
• SMILES: c12ccccc1c1ccccc1C2(CCC(=O)OC)CCC(=O)OC
• Title of publication: 9,9-Bis(methoxycarbonylethyl)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: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3346 - o3348
• a: 12.0711 ± 0.0018 Å
• b: 10.0544 ± 0.0015 Å
• c: 15.751 ± 0.002 Å
• α: 90°
• β: 102.39 ± 0.003°
• γ: 90°
• Cell volume: 1867.1 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes