Information card for entry 2006820

Structure parameters

• Chemical name: methyl 3',6'-bis(chloromethyl)-2,2'-dimethoxy-1,1'-binaphthalene-3-carboxylate
• Formula: C26 H22 Cl2 O4
• Calculated formula: C26 H22 Cl2 O4
• Title of publication: Methyl 3',6'-Bis(chloromethyl)-2,2'-dimethoxy-1,1'-binaphthalene-3-carboxylate
• Authors of publication: Pakhomova, Svetlana; Kratochvíl, Bohumil; Lellek, Vít; Stibor, Ivan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1871 - 1873
• a: 8.584 ± 0.001 Å
• b: 16.066 ± 0.003 Å
• c: 16.097 ± 0.002 Å
• α: 90°
• β: 92.93 ± 0.01°
• γ: 90°
• Cell volume: 2217 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections: 0.2026
• Weighted residual factors for significantly intense reflections: 0.1892
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No