Information card for entry 4102089

Structure parameters

• Formula: C58 H66 Cl4 N4 Pd
• Calculated formula: C58 H66 Cl4 N4 Pd
• Title of publication: Shape-Directed Assembly of a "Macromolecular Barb" into Nanofibers: Stereospecific Cyclopolymerization of Isopropylidene Diallylmalonate
• Authors of publication: Yasunao Miyamura; Kazushi Kinbara; Yohei Yamamoto; Vakayil K. Praveen; Kenichi Kato; Masaki Takata; Atsushi Takano; Yushu Matsushita; Eunji Lee; Myongsoo Lee; Takuzo Aida
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 3292 - 3294
• a: 18.934 ± 0.004 Å
• b: 27.616 ± 0.006 Å
• c: 20.473 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10705 ± 4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.295
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No