Information card for entry 7219247

Structure parameters

• Formula: C27 H24 O
• Calculated formula: C27 H24 O
• SMILES: O(c1ccc(c2ccc3ccc4cc(cc5ccc2c3c45)C(C)(C)C)cc1)C
• Title of publication: Iron(iii) bromide catalyzed bromination of 2-tert-butylpyrene and corresponding position-dependent aryl-functionalized pyrene derivatives
• Authors of publication: Feng, Xing; Hu, Jian-Yong; Tomiyasu, Hirotsugu; Tao, Zhu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Wei, Xian-Fu; Yamato, Takehiko
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 12
• Pages of publication: 8835
• a: 34.643 ± 0.004 Å
• b: 11.0927 ± 0.0016 Å
• c: 10.1811 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3912.4 ± 0.9 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No