Information card for entry 7156954

Structure parameters

• Formula: C48 H62 N8 O7 S
• Calculated formula: C48 H62 N8 O7 S
• Title of publication: Synthesis and electrochromic behavior of a multi-electron redox-active N-heteroheptacenequinone.
• Authors of publication: Isoda, Kyosuke; Matsuzaka, Mitsuru; Sugaya, Tomoaki; Yasuda, Takeshi; Tadokoro, Makoto
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 34
• Pages of publication: 7884 - 7890
• a: 8.996 ± 0.009 Å
• b: 13.612 ± 0.014 Å
• c: 20.05 ± 0.02 Å
• α: 87.116 ± 0.015°
• β: 82.877 ± 0.016°
• γ: 77.657 ± 0.015°
• Cell volume: 2379 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2268
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2121
• Weighted residual factors for all reflections included in the refinement: 0.2828
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No