Information card for entry 1503450

Structure parameters

• Formula: C90 H102 N6 Si6
• Calculated formula: C90 H102 N6 Si6
• 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: 29.161 ± 0.0004 Å
• b: 29.161 ± 0.0004 Å
• c: 17.6054 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12965.3 ± 0.3 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No