Information card for entry 7200797

Structure parameters

• Chemical name: Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalene
• Formula: C34 H26 N2 S4
• Calculated formula: C34 H26 N2 S4
• Title of publication: Novel enantiopure bis(pyrrolo)tetrathiafulvalene donors exhibiting chiral crystal packing arrangements
• Authors of publication: Yang, Songjie; Brooks, Andrew C.; Martin, Lee; Day, Peter; Li, Hongchao; Horton, Peter; Male, Louise; Wallis, John D.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 993
• a: 10.8652 ± 0.0002 Å
• b: 10.8969 ± 0.0002 Å
• c: 47.0032 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5565.04 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No