Information card for entry 1550704

Structure parameters

• Formula: C41 H24 O
• Calculated formula: C41 H24 O
• SMILES: c12ccccc1C1(c3ccccc3O2)c2ccccc2c2ccc(cc12)c1ccc2ccc3cccc4ccc1c2c34
• Title of publication: Supramolecular Steric Hindrance Effect on Morphologies and Photophysical Behaviors of Spirocyclic Aromatic Hydrocarbon Nanocrystals
• Authors of publication: Li, Yin-Xiang; Zhang, He; Yu, Mengna; Wang, Sha-Sha; Liu, Yi-Ran; Lin, Dongqing; Xie, Linghai; Lin, Zong-Qiong; Huang, Wei
• Journal of publication: Nanoscale
• Year of publication: 2019
• a: 8.821 ± 0.01 Å
• b: 9.062 ± 0.01 Å
• c: 20.85 ± 0.02 Å
• α: 86.212 ± 0.016°
• β: 79.334 ± 0.015°
• γ: 64.024 ± 0.015°
• Cell volume: 1472 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No