Information card for entry 1507088

Structure parameters

• Formula: C75 H78 N2 O5 S2
• Calculated formula: C75 H78 N2 O5 S2
• Title of publication: Nanoscale aryleneethynylene molecular wires with reversible fluorenone electrochemistry for self-assembly onto metal surfaces.
• Authors of publication: Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.; Sage, Ian
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 13
• Pages of publication: 2181 - 2184
• a: 8.541 ± 0.001 Å
• b: 21.607 ± 0.005 Å
• c: 34.169 ± 0.008 Å
• α: 90°
• β: 95.17 ± 0.02°
• γ: 90°
• Cell volume: 6280 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No