Information card for entry 7206047

Structure parameters

• Formula: C25 H24 O2
• Calculated formula: C25 H24 O2
• SMILES: c1cccc2c1c(c1ccccc1c2)C(=O)OC12CC3CC(CC(C1)C3)C2
• 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: 17.3689 ± 0.0007 Å
• b: 6.3517 ± 0.0002 Å
• c: 17.6297 ± 0.0007 Å
• α: 90°
• β: 113.119 ± 0.0005°
• γ: 90°
• Cell volume: 1788.74 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No