Information card for entry 2224608

Structure parameters

• Chemical name: 1-Bromo-2,7-di-<i>tert</i>-butylpyrene
• Formula: C24 H25 Br
• Calculated formula: C24 H25 Br
• SMILES: Brc1c2ccc3c4c2c(cc1C(C)(C)C)ccc4cc(c3)C(C)(C)C
• Title of publication: 1-Bromo-2,7-di-<i>tert</i>-butylpyrene
• Authors of publication: Xia, Guang-Ming; Liu, Zhi-Qiang; Lu, Ping; Sun, Guo-Xin; Chen, Hong-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o216
• a: 21.4678 ± 0.0004 Å
• b: 14.5221 ± 0.0002 Å
• c: 6.2436 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1946.49 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1336
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2401
• Weighted residual factors for all reflections included in the refinement: 0.2808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes