Information card for entry 7112086

Structure parameters

• Formula: C29 H27 N O4
• Calculated formula: C29 H27 N O4
• SMILES: O(c1ccc2CCc3c4C(=O)N(CCC)C(=O)c4c4c(c5cc(OC)ccc5CC4)c3c2c1)C
• Title of publication: Tetrahydro[5]helicene-based imide dyes with intense fluorescence in both solution and solid state
• Authors of publication: Meng Li; Yingli Niu; Xiaozhang Zhu; Qian Peng; Hai-Yan Lu; Andong Xia; Chuan-Feng Chen
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2993
• a: 15.388 ± 0.006 Å
• b: 6.68 ± 0.003 Å
• c: 22.363 ± 0.009 Å
• α: 90°
• β: 93.69 ± 0.03°
• γ: 90°
• Cell volume: 2294 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No