Information card for entry 4025240

Structure parameters

• Common name: NDT
• Chemical name: NDT
• Formula: C14 H8 S2
• Calculated formula: C14 H8 S2
• Title of publication: Synthesis, Properties, Crystal Structures, and Semiconductor Characteristics of Naphtho[1,2-b:5,6-b']dithiophene and -diselenophene Derivatives
• Authors of publication: Shoji Shinamura; Eigo Miyazaki; Kazuo Takimiya
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 1228 - 1234
• a: 17.973 ± 0.005 Å
• b: 7.4851 ± 0.0018 Å
• c: 8.244 ± 0.002 Å
• α: 90°
• β: 93.482 ± 0.015°
• γ: 90°
• Cell volume: 1107 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.252
• Weighted residual factors for all reflections included in the refinement: 0.2846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No