Information card for entry 1566302

Structure parameters

• Chemical name: 1,2-bis(3,6-di-tert-butyl-9H-fluoren-9-ylidene)ethene
• Formula: C44 H48
• Calculated formula: C44 H48
• 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: 15.9081 ± 0.001 Å
• b: 10.1431 ± 0.0006 Å
• c: 23.4731 ± 0.0017 Å
• α: 90°
• β: 98.646 ± 0.007°
• γ: 90°
• Cell volume: 3744.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1283
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No