Information card for entry 1554140

Structure parameters

• Common name: Tc-Ad-Tc
• Formula: C90 H116 Si4
• Calculated formula: C90 H116 Si4
• Title of publication: Exergonic Intramolecular Singlet Fission of an Adamantane-Linked Tetracene Dyad via Twin Quintet Multiexcitons
• Authors of publication: Matsui, Yasunori; Kawaoka, Shuhei; Nagashima, Hiroki; Nakagawa, Tatsuo; Okamura, Naoki; Ogaki, Takuya; Ohta, Eisuke; Akimoto, Seiji; Sato-Tomita, Ayana; Yagi, Shigeyuki; Kobori, Yasuhiro; Ikeda, Hiroshi
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2019
• Journal volume: 123
• Journal issue: 31
• Pages of publication: 18813
• a: 47.416 ± 0.005 Å
• b: 10.523 ± 0.003 Å
• c: 15.989 ± 0.002 Å
• α: 90°
• β: 90.102 ± 0.005°
• γ: 90°
• Cell volume: 7978 ± 3 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.75 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No