Information card for entry 8107626

Structure parameters

• Formula: C23 H25 Br O6
• Calculated formula: C23 H25 Br O6
• Title of publication: Crystal structure of (Z)-2-(4-((5-bromopentyl)oxy)benzylidene)-4,5,6-trimethoxybenzofuran-3(2H)-one, C23H25BrO6
• Authors of publication: Wang, Hua-Bin; Xu, Lian-Hua; Shi, Ju-Mei; Zhou, Ying; Hao, Yong-Jia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 1013 - 1015
• a: 7.8451 ± 0.0003 Å
• b: 7.9428 ± 0.0002 Å
• c: 17.636 ± 0.0006 Å
• α: 90.146 ± 0.003°
• β: 90.433 ± 0.003°
• γ: 99.307 ± 0.003°
• Cell volume: 1084.43 ± 0.06 ų
• Cell temperature: 297.37 ± 0.1 K
• Ambient diffraction temperature: 297.37 ± 0.1 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: 0.0509
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No