Information card for entry 1559436

Structure parameters

• Chemical name: b-model-Ph
• Formula: C17 H18 O
• Calculated formula: C17 H18 O
• SMILES: O=C(CC(c1ccc(c2ccccc2)cc1)C)C
• Title of publication: Alternating Vinylarene‒Carbon Monoxide Copolymers: Simple and Efficient Nonconjugated Luminescent Macromolecules
• Authors of publication: Du, Cheng; Chu, Hongling; Xiao, Zefan; Zhong, Liu; Zhou, Yusheng; Qin, Wei; Liang, Guodong; Gao, Haiyang
• Journal of publication: Macromolecules
• Year of publication: 2020
• a: 5.8147 ± 0.0002 Å
• b: 10.0058 ± 0.0004 Å
• c: 11.3922 ± 0.0005 Å
• α: 92.978 ± 0.002°
• β: 92.413 ± 0.002°
• γ: 91.372 ± 0.002°
• Cell volume: 661.1 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0605
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No