Information card for entry 1566304

Structure parameters

• Common name: tetraphenylbutatriene
• Chemical name: 1,1,4,4-tetraphenylbuta-1,2,3-triene
• Formula: C28 H20
• Calculated formula: C28 H20
• SMILES: C(=C=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1
• Title of publication: Mechanism and Kinetics of Fluorescence Quenching of Fluorene-Endcapped Butatriene: A Microspectroscopic Study of the Discrete State Constructed in Microcrystals
• Authors of publication: Hirao, Yasukazu; Ihara, Keiji; Ishibashi, Yukihide; Tiu, Elisha Gabrielle; Asahi, Tsuyoshi; Kubo, Takashi
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2022
• Journal volume: 126
• Journal issue: 2
• Pages of publication: 1196 - 1203
• a: 9.993 ± 0.002 Å
• b: 10.043 ± 0.002 Å
• c: 10.481 ± 0.002 Å
• α: 92.172 ± 0.007°
• β: 104.863 ± 0.007°
• γ: 105.068 ± 0.007°
• Cell volume: 975.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.17
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No