Information card for entry 4103140

Structure parameters

• Formula: C32 H32 N2 O2
• Calculated formula: C32 H32 N2 O2
• SMILES: C(Oc1ccc(cc1)/C=C(c1ccc(/C(=C/c2ccc(OCCCC)cc2)C#N)cc1)\C#N)CCC
• Title of publication: Multistimuli Two-Color Luminescence Switching via Different Slip-Stacking of Highly Fluorescent Molecular Sheets
• Authors of publication: Seong-Jun Yoon; Jong Won Chung; Johannes Gierschner; Kil Suk Kim; Moon-Gun Choi; Dongho Kim; Soo Young Park
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 13675 - 13683
• a: 7.6944 ± 0.0019 Å
• b: 8.914 ± 0.002 Å
• c: 9.926 ± 0.003 Å
• α: 96.945 ± 0.004°
• β: 102.309 ± 0.004°
• γ: 91.532 ± 0.004°
• Cell volume: 659.3 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No