Information card for entry 1548246

Structure parameters

• Formula: C158 H140 N4 O12 Si4
• Calculated formula: C158 H140 N4 O12 Si4
• SMILES: Cc1ccccc1.[Si](C)(C)(C)C#Cc1ccc(cc1)c1c(c(ccc1)c1ccc(cc1)C#Cc1ccc(cc1)NC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1)c1c(c(ccc1)c1ccc(cc1)C#C[Si](C)(C)C)C(=O)O)C(=O)O
• Title of publication: Chirality- and sequence-selective successive self-sorting via specific homo- and complementary-duplex formations
• Authors of publication: Wataru Makiguchi; Junki Tanabe; Hidekazu Yamada; Hiroki Iida; Daisuke Taura; Naoki Ousaka; Eiji Yashima
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 7236
• a: 15.99 ± 0.002 Å
• b: 28.164 ± 0.004 Å
• c: 30.875 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13904 ± 3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1431
• Residual factor for significantly intense reflections: 0.1342
• Weighted residual factors for significantly intense reflections: 0.3443
• Weighted residual factors for all reflections included in the refinement: 0.352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No