Information card for entry 2229300

Structure parameters

• Chemical name: Di-<i>tert</i>-Butyl 2,2'-[2,2'-methylenebis(naphthalene-2,1-diyldioxy)]diacetate
• Formula: C33 H36 O6
• Calculated formula: C33 H36 O6
• SMILES: O(CC(=O)OC(C)(C)C)c1ccc2ccccc2c1Cc1c2ccccc2ccc1OCC(=O)OC(C)(C)C
• Title of publication: Di-<i>tert</i>-Butyl 2,2'-[2,2'-methylenebis(naphthalene-2,1-diyldioxy)]diacetate
• Authors of publication: Ali, Qamar; Anis, Itrat; Raza Shah, M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o533
• a: 8.9849 ± 0.0005 Å
• b: 11.8327 ± 0.0006 Å
• c: 13.7768 ± 0.0006 Å
• α: 79.804 ± 0.004°
• β: 74.115 ± 0.004°
• γ: 88.094 ± 0.004°
• Cell volume: 1386.33 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1385
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes