Information card for entry 7110660

Structure parameters

• Formula: C18 H6 S3
• Calculated formula: C18 S3
• Title of publication: Triphenyleno[1,12-bcd:4,5-b′c′d′:8,9-b″c″d″]trithiophene: the first bowl-shaped heteroaromatic
• Authors of publication: Imamura, Koichi; Takimiya, Kazuo; Otsubo, Tetsuo; Aso, Yoshio
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 1859
• a: 26.121 ± 0.007 Å
• b: 26.121 ± 0.007 Å
• c: 7.433 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4392 ± 2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 184
• Hermann-Mauguin space group symbol: P 6 c c
• Hall space group symbol: P 6 -2c
• Residual factor for all reflections: 0.2936
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.2502
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No