Information card for entry 7110275

Structure parameters

• Formula: C25 H24 Br F3 N2 O3 S2
• Calculated formula: C25 H24 Br F3 N2 O3 S2
• Title of publication: STM-based molecular detection of ?catch-and-release? of protons for bipyridine bound to phenylene?ethynylene thiolElectronic supplementary information (ESI) available: cross sectional profiles of the STM images before and after the addition of TfOH. See http://www.rsc.org/suppdata/cc/b4/b402251c/
• Authors of publication: Koyama, Emiko; Ishida, Takao; Tokuhisa, Hideo; Belaissaoui, Abdelhak; Nagawa, Yoshinobu; Kanesato, Masatoshi
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 14
• Pages of publication: 1626 - 1627
• a: 10.5 ± 0.01 Å
• b: 11.15 ± 0.02 Å
• c: 12.58 ± 0.02 Å
• α: 98.96 ± 0.07°
• β: 93.25 ± 0.06°
• γ: 106.31 ± 0.05°
• Cell volume: 1388 ± 4 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.512
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No