Information card for entry 1503257

Structure parameters

• Formula: C26 H29 B
• Calculated formula: C26 H29 B
• SMILES: B(c1ccc(cc1)C=C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Switching high two-photon efficiency: from 3,8,13-substituted triindole derivatives to their 2,7,12-isomers.
• Authors of publication: Ji, Lei; Fang, Qi; Yuan, Mao-Sen; Liu, Zhi-Qiang; Shen, Yu-Xiang; Chen, Hong-Feng
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 22
• Pages of publication: 5192 - 5195
• a: 11.5315 ± 0.0004 Å
• b: 8.2693 ± 0.0003 Å
• c: 22.9998 ± 0.0007 Å
• α: 90°
• β: 98.143 ± 0.002°
• γ: 90°
• Cell volume: 2171.09 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No