Information card for entry 7204426

Structure parameters

• Common name: japoe10
• Chemical name: trans-1-(6-Methoxy-1-tetralinylidene)-6-methoxytetralane
• Formula: C22 H24 O2
• Calculated formula: C22 H24 O2
• SMILES: c1c2c(/C(CCC2)=C2/c3c(cc(cc3)OC)CCC2)ccc1OC
• Title of publication: Cyclic trans-stilbenes: synthesis, structural and spectroscopic characterization, photophysical and photochemical properties
• Authors of publication: Michael Oelgemöller; Bernhard Brem; Rudolf Frank; Siegfried Schneider; Dieter Lenoir; Norbert Hertkorn; Yumi Origane; Peter Lemmen; Johann Lex; Yoshihisa Inoue
• Journal of publication: J. Chem. Soc., Perkin Trans. 2
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 1760 - 1771
• a: 26.192 ± 0.001 Å
• b: 9.483 ± 0.001 Å
• c: 6.913 ± 0.001 Å
• α: 90°
• β: 101.3 ± 0.1°
• γ: 90°
• Cell volume: 1683.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No