Information card for entry 2101274

Structure parameters

• Chemical name: (E)-7,7'-dimethyl-1,1'-biindanylidene
• Formula: C20 H20
• Calculated formula: C20 H20
• SMILES: Cc1cccc2c1/C(=C1\CCc3c1c(C)ccc3)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: 13.188 ± 0.002 Å
• b: 14.693 ± 0.002 Å
• c: 7.6702 ± 0.0007 Å
• α: 98.444 ± 0.008°
• β: 98.961 ± 0.009°
• γ: 90.552 ± 0.009°
• Cell volume: 1451.4 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for all reflections: 1.79
• Goodness-of-fit parameter for significantly intense reflections: 1.897
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No