Information card for entry 2101270

Structure parameters

• Chemical name: (E)-4,4'-dimethyl-1,1'-biindanylidene
• Formula: C20 H20
• Calculated formula: C20 H20
• SMILES: Cc1cccc2c1CC/C2=C1/CCc2c1cccc2C
• Title of publication: Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes
• Authors of publication: Ogawa, K.; Harada, J.; Tomoda, S.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 2
• Pages of publication: 240 - 248
• a: 5.225 ± 0.003 Å
• b: 5.42 ± 0.002 Å
• c: 24.26 ± 0.002 Å
• α: 90°
• β: 92.67 ± 0.02°
• γ: 90°
• Cell volume: 686.3 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 2
• 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: 0.046
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for all reflections: 3.211
• Goodness-of-fit parameter for significantly intense reflections: 3.36
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No