Information card for entry 1520389

Structure parameters

• Formula: C36 H53 N2 O5
• Calculated formula: C36 H53 N2 O5
• SMILES: [C@]1(CC[C@@](C)(c2ccc(cc2)C(=O)N[C@H](C(=O)O)C)[N]1=O)(C)c1ccc(cc1)OCCCCCCCCCCCCCC
• Title of publication: Preparation, characterization and magnetic behavior of a spin-labelled physical hydrogel containing a chiral cyclic nitroxide radical unit fixed inside the gelator molecule.
• Authors of publication: Takemoto, Yusa; Yamamoto, Takayuki; Ikuma, Naohiko; Uchida, Yoshiaki; Suzuki, Katsuaki; Shimono, Satoshi; Takahashi, Hiroki; Sato, Nobuhiro; Oba, Yojiro; Inoue, Rintaro; Sugiyama, Masaaki; Tsue, Hirohito; Kato, Tatsuhisa; Yamauchi, Jun; Tamura, Rui
• Journal of publication: Soft matter
• Year of publication: 2015
• Journal volume: 11
• Journal issue: 27
• Pages of publication: 5563 - 5570
• a: 9.576 ± 0.003 Å
• b: 13.43 ± 0.004 Å
• c: 26.522 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3410.9 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1132
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No