Information card for entry 1550705

Structure parameters

• Formula: C41 H24
• Calculated formula: C41 H24
• SMILES: c1ccc2ccc3ccc(c4c3c2c1cc4)c1ccc2c(c1)C1(c3c2cccc3)c2ccccc2c2ccccc12
• 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: 14.999 ± 0.005 Å
• b: 11.913 ± 0.004 Å
• c: 16.835 ± 0.005 Å
• α: 90°
• β: 110.752 ± 0.005°
• γ: 90°
• Cell volume: 2813 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1821
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No