Information card for entry 4518140

Structure parameters

• Formula: C42.5 H27.83 Cl4 N2.83 O4.83
• Calculated formula: C42.5365 H27.9185 Cl4 N2.8455 O4.8455
• 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: 11.835 ± 0.0017 Å
• b: 11.835 ± 0.0017 Å
• c: 43.729 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5304.4 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2344
• Weighted residual factors for all reflections included in the refinement: 0.2443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No