Information card for entry 7242797

Structure parameters

• Chemical name: 2ECN
• Formula: C2.75 H1.83 N0.17 O0.17
• Calculated formula: C2.75 H1.83333 N0.166667 O0.166667
• Title of publication: Mechano-induced photoluminescence colour change in an alkyltolane-terminated cyanostilbene
• Authors of publication: Kondo, Mizuho; Morita, Yuya; Nishida, Jun-ichi; Kawase, Takeshi; Kawatsuki, Nobuhiro
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 34
• Pages of publication: 5869 - 5875
• a: 24.8541 ± 0.0011 Å
• b: 6.7596 ± 0.0003 Å
• c: 15.6816 ± 0.0006 Å
• α: 90°
• β: 104.869 ± 0.004°
• γ: 90°
• Cell volume: 2546.35 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1206
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No