Information card for entry 1503255

Structure parameters

• Formula: C45 H51 N3 Si3
• Calculated formula: C45 H51 N3 Si3
• SMILES: [Si](C#Cc1cc2n(CC)c3c(c2cc1)c1n(c2c(c1c1n(CC)c4c(c31)ccc(C#C[Si](C)(C)C)c4)ccc(c2)C#C[Si](C)(C)C)CC)(C)(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: 18.3907 ± 0.0004 Å
• b: 7.8435 ± 0.0002 Å
• c: 30.5956 ± 0.0007 Å
• α: 90°
• β: 92.8504 ± 0.0015°
• γ: 90°
• Cell volume: 4407.88 ± 0.18 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.1162
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No