Information card for entry 4131203

Structure parameters

• Common name: C84Ad
• Formula: C106 H22 Cl4
• Calculated formula: C106 H22 Cl4
• Title of publication: D_2d(23)-C₈₄ versus Sc₂C₂@D_2d(23)-C₈₄: Impact of Endohedral Sc₂C₂ Doping on Chemical Reactivity in the Photolysis of Diazirine.
• Authors of publication: Yamada, Michio; Tanabe, Yukiko; Dang, Jing-Shuang; Sato, Satoru; Mizorogi, Naomi; Hachiya, Makoto; Suzuki, Mitsuaki; Abe, Tsuneyuki; Kurihara, Hiroki; Maeda, Yutaka; Zhao, Xiang; Lian, Yongfu; Nagase, Shigeru; Akasaka, Takeshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 50
• Pages of publication: 16523 - 16532
• a: 44.997 ± 0.018 Å
• b: 11.379 ± 0.004 Å
• c: 22.258 ± 0.009 Å
• α: 90°
• β: 95.284 ± 0.006°
• γ: 90°
• Cell volume: 11348 ± 8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 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: 0.1177
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.766
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No