Information card for entry 7206051

Structure parameters

• Formula: C18 H16 O2
• Calculated formula: C18 H16 O2
• SMILES: c1cccc2c1c(c1ccccc1c2)C(=O)OC(C)C
• Title of publication: Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives
• Authors of publication: Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 17
• Pages of publication: 6258
• a: 16.5454 ± 0.0012 Å
• b: 7.5826 ± 0.0005 Å
• c: 22.0553 ± 0.0015 Å
• α: 90°
• β: 95.2065 ± 0.0011°
• γ: 90°
• Cell volume: 2755.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1286
• 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