Information card for entry 2017088

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: CCOC(=O)Oc1ccc2c(c1c1c(ccc3c1cccc3)OC(=O)OCC)cccc2
• 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: 10.8028 ± 0.0018 Å
• b: 14.798 ± 0.003 Å
• c: 15.926 ± 0.003 Å
• α: 63.692 ± 0.002°
• β: 72.394 ± 0.003°
• γ: 73.2 ± 0.003°
• Cell volume: 2139.2 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0644
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes