Information card for entry 7103633

Structure parameters

• Formula: C31 H37 N5 O6 Si
• Calculated formula: C31 H37 N5 O6 Si
• SMILES: [Si](C#Cc1c(cc(c(c1)C#Cc1cc(c(cc1NC(=O)C)C(=O)OC)N=NN(CC)CC)C(=O)OC)NC(=O)C)(C)(C)C
• Title of publication: A new strategy for folding oligo(m-phenylene ethynylenes).
• Authors of publication: Yang, Xiaowu; Brown, Amy L.; Furukawa, Mako; Li, Shoujian; Gardinier, Wendy E.; Bukowski, Eric J.; Bright, Frank V.; Zheng, Chong; Zeng, Xiao Cheng; Gong, Bing
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 56 - 57
• a: 9.8811 ± 0.0019 Å
• b: 13.014 ± 0.003 Å
• c: 14.189 ± 0.003 Å
• α: 115.143 ± 0.003°
• β: 90.863 ± 0.004°
• γ: 99.193 ± 0.004°
• Cell volume: 1623.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.287
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No