Information card for entry 2206587

Structure parameters

• Chemical name: 2-(3-Bromo-4-butoxyphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)furan
• Formula: C25 H29 Br O5
• Calculated formula: C25 H29 Br O5
• SMILES: Brc1cc(c2oc(c(c2C)C)c2cc(OC)c(OC)c(OC)c2)ccc1OCCCC
• Title of publication: 2-(3-Bromo-4-butoxyphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)furan
• Authors of publication: Wang, Run-Ling; Shi, Ji-Xian; Zheng, Xiu-Fang; Zhou, Ye
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2619 - o2620
• a: 8.9854 ± 0.0017 Å
• b: 11.955 ± 0.002 Å
• c: 12.21 ± 0.002 Å
• α: 71.179 ± 0.003°
• β: 70.188 ± 0.003°
• γ: 84.085 ± 0.003°
• Cell volume: 1168 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes