Information card for entry 2101273

Structure parameters

• Chemical name: (E)-6,6'-dimethyl-1,1'-biindanylidene
• Formula: C20 H20
• Calculated formula: C20 H20
• SMILES: Cc1ccc2c(c1)/C(=C1\CCc3c1cc(C)cc3)CC2
• 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: 5.627 ± 0.002 Å
• b: 5.05 ± 0.002 Å
• c: 23.987 ± 0.003 Å
• α: 90°
• β: 92.31 ± 0.03°
• γ: 90°
• Cell volume: 681.1 ± 0.4 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: 0.051
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for all reflections: 3.43
• Goodness-of-fit parameter for significantly intense reflections: 3.568
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No