Information card for entry 1502296

Structure parameters

• Formula: C54 H63 N3 S18
• Calculated formula: C54 H9 N3 S18
• Title of publication: Star-shaped pyrrole-fused tetrathiafulvalene oligomers: synthesis and redox, self-assembling, and conductive properties.
• Authors of publication: Takase, Masayoshi; Yoshida, Naofumi; Nishinaga, Tohru; Iyoda, Masahiko
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 15
• Pages of publication: 3896 - 3899
• a: 14.318 ± 0.003 Å
• b: 14.58 ± 0.003 Å
• c: 33.48 ± 0.007 Å
• α: 96.488 ± 0.004°
• β: 91.367 ± 0.004°
• γ: 114.487 ± 0.004°
• Cell volume: 6300 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3186
• Residual factor for significantly intense reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.1944
• Weighted residual factors for all reflections included in the refinement: 0.2993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No