Information card for entry 7007278

Structure parameters

• Formula: C52 H62 Na2 O10
• Calculated formula: C52 H62 Na2 O10
• SMILES: [Na]12([O](C)CC[O]1C)[O](c1c(cccc1Cc1c(OC)cccc1)Cc1c(OC)cccc1)[Na]1([O]2c2c(cccc2Cc2c(OC)cccc2)Cc2c(OC)cccc2)[O](C)CC[O]1C
• Title of publication: Synthesis and structural characterisation of lithium and sodium 2,6-dibenzylphenolate complexes.
• Authors of publication: Cole, Marcus L.; Junk, Peter C.; Proctor, Kathryn M.; Scott, Janet L.; Strauss, Christopher R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 27
• Pages of publication: 3338 - 3349
• a: 10.4333 ± 0.0002 Å
• b: 11.0954 ± 0.0003 Å
• c: 20.7892 ± 0.0005 Å
• α: 89.254 ± 0.002°
• β: 80.838 ± 0.002°
• γ: 83.623 ± 0.001°
• Cell volume: 2361.16 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No