Information card for entry 7204370

Structure parameters

• Formula: C38 H48 O4
• Calculated formula: C38 H48 O4
• SMILES: c1(c(ccc2ccc(c(c12)c1cc(c(cc1)OC)C(C)(C)C)OC(C)C)OC(C)C)c1cc(c(cc1)OC)C(C)(C)C
• Title of publication: The structure, modelling and dynamics of 2,7-diisopropoxy-1,8-diarylnaphthalenes
• Authors of publication: Carl Thirsk; Geoffrey E. Hawkes; Romano T. Kroemer; Klaus R. Liedl; Thomas Loerting; Rima Nasser; Robin G. Pritchard; Melanie Steele; John E. Warren; Andrew Whiting
• Journal of publication: J. Chem. Soc., Perkin Trans. 2
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 1510 - 1519
• a: 16.808 ± 0.002 Å
• b: 22.023 ± 0.002 Å
• c: 9 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3331.5 ± 1.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No