Information card for entry 2203003

Structure parameters

• Chemical name: 2,7,12-Tris(2-bromoethoxy)-3,8,13-trimethoxy-10,15-dihydro-5H- tribenzo[a,d,g]cyclononaene
• Formula: C30 H33 Br3 O6
• Calculated formula: C30 H33 Br3 O6
• SMILES: BrCCOc1cc2Cc3cc(OC)c(cc3Cc3c(Cc2cc1OC)cc(OCCBr)c(c3)OC)OCCBr
• Title of publication: 2,7,12-Tris(2-bromoethoxy)-3,8,13-trimethoxy-10,15-dihydro-5<i>H</i>-tribenzo[<i>a,d,g</i>]cyclononaene
• Authors of publication: Wang, Song-Qing; Zeng, Guo; Zheng, Xiu-Fang; Zhao, Kang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1862 - o1863
• a: 14.585 ± 0.003 Å
• b: 8.3893 ± 0.0019 Å
• c: 24.881 ± 0.006 Å
• α: 90°
• β: 98.507 ± 0.004°
• γ: 90°
• Cell volume: 3010.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes