Information card for entry 4119216

Structure parameters

• Common name: quarterantheneperoxide
• Formula: C110 H94 O2
• Calculated formula: C110 H94 O2
• Title of publication: Synthesis and Characterization of Quarteranthene: Elucidating the Characteristics of the Edge State of Graphene Nanoribbons at the Molecular Level
• Authors of publication: Akihito Konishi; Yasukazu Hirao; Kouzou Matsumoto; Hiroyuki Kurata; Ryohei Kishi; Yasuteru Shigeta; Masayoshi Nakano; Kazuya Tokunaga; Kenji Kamada; Takashi Kubo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 1430 - 1437
• a: 9.7396 ± 0.0003 Å
• b: 19.3986 ± 0.0007 Å
• c: 21.6326 ± 0.0008 Å
• α: 77.6474 ± 0.0011°
• β: 89.1137 ± 0.0009°
• γ: 84.1088 ± 0.0011°
• Cell volume: 3971.4 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1676
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1871
• Weighted residual factors for all reflections included in the refinement: 0.235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No