Information card for entry 4518139

Structure parameters

• Formula: C42.67 H28.17 Cl4 N2.83 O4.83
• Calculated formula: C42.652 H28.188 Cl4 N2.884 O4.884
• Title of publication: Surface-Doped Quasi-2D Chiral Organic Single Crystals for Chiroptical Sensing
• Authors of publication: Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ahn, Jaeyong; Ohtsu, Hiroyoshi; Kim, Jin Chul; Koo, Jin Young; Kwak, Sang Kyu; Oh, Joon Hak
• Journal of publication: ACS Nano
• Year of publication: 2020
• a: 11.8747 ± 0.0017 Å
• b: 11.8747 ± 0.0017 Å
• c: 43.884 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5359 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.66002 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No