Information card for entry 4518491

Structure parameters

• Formula: C49 H52 Br2
• Calculated formula: C49 H52 Br2
• Title of publication: Correction to “Incorporation of 1,3-Free-2,6-Connected Azulene Units into the Backbone of Conjugated Polymers: Improving Proton Responsiveness and Electrical Conductivity’’
• Authors of publication: Gao, Honglei; Ge, Congwu; Hou, Bin; Xin, Hanshen; Gao, Xike
• Journal of publication: ACS Macro Letters
• Year of publication: 2021
• Pages of publication: 312 - 312
• a: 8.3204 ± 0.0004 Å
• b: 15.5192 ± 0.0007 Å
• c: 16.447 ± 0.001 Å
• α: 73.735 ± 0.004°
• β: 80.49 ± 0.003°
• γ: 80.842 ± 0.002°
• Cell volume: 1996.37 ± 0.18 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.03 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1409
• Residual factor for significantly intense reflections: 0.1187
• Weighted residual factors for significantly intense reflections: 0.2711
• Weighted residual factors for all reflections included in the refinement: 0.2858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No