Information card for entry 2101271

Structure parameters

• Chemical name: (E)-5,5'-dimethyl-1,1'-biindanylidene
• Formula: C20 H20
• Calculated formula: C20 H20
• SMILES: Cc1ccc2c(c1)CC/C2=C1/CCc2c1ccc(c2)C
• 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: 21.776 ± 0.002 Å
• b: 8.62 ± 0.002 Å
• c: 7.709 ± 0.002 Å
• α: 90°
• β: 95.22 ± 0.02°
• γ: 90°
• Cell volume: 1441 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 2
• 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: 0.054
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.057
• Goodness-of-fit parameter for all reflections: 2.403
• Goodness-of-fit parameter for significantly intense reflections: 2.568
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No