Information card for entry 2017086

Structure parameters

• Common name: Binaphtholbiscarbonate
• Chemical name: 1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)
• Formula: C26 H22 O6
• Calculated formula: C26 H22 O6
• SMILES: c12ccccc1ccc(c2c1c2ccccc2ccc1OC(=O)OCC)OC(=O)OCC
• Title of publication: Apparent shortening of the C<i>sp</i>^3^—C<i>sp</i>^3^ bond analysed <i>via</i> a variable-temperature X-ray diffraction study in racemic 1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate)
• Authors of publication: Nayak, Susanta K.; Chandrasekhar, S.; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o222 - o225
• a: 9.7614 ± 0.0014 Å
• b: 10.0379 ± 0.0014 Å
• c: 12.3947 ± 0.0017 Å
• α: 89.49 ± 0.002°
• β: 84.81 ± 0.002°
• γ: 65.989 ± 0.002°
• Cell volume: 1104.3 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0819
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.1908
• 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