Information card for entry 2226761

Structure parameters

• Common name: 9,9-Bis[4-(<i>tert</i>-butoxycarbonylmethyloxy)phenyl]fluorene
• Chemical name: Di-<i>tert</i>-butyl 2,2'-[9<i>H</i>-fluorene-9,9-diylbis(<i>p</i>-phenyleneoxy)]diacetate
• Formula: C37 H38 O6
• Calculated formula: C37 H38 O6
• SMILES: O(C(C)(C)C)C(=O)COc1ccc(cc1)C1(c2ccccc2c2ccccc12)c1ccc(OCC(=O)OC(C)(C)C)cc1
• Title of publication: Di-<i>tert</i>-butyl 2,2'-[9<i>H</i>-fluorene-9,9-diylbis(<i>p</i>-phenyleneoxy)]diacetate
• Authors of publication: Shah, Kiramat; Yousuf, Sammer; Raza Shah, Muhammad; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1705
• a: 15.6527 ± 0.0008 Å
• b: 11.9466 ± 0.0006 Å
• c: 17.8218 ± 0.0009 Å
• α: 90°
• β: 107.109 ± 0.001°
• γ: 90°
• Cell volume: 3185.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0871
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes