Information card for entry 7206045

Structure parameters

• Formula: C22 H22 O2
• Calculated formula: C22 H22 O2
• SMILES: c1cccc2c1c(c1ccccc1c2)C(=O)OC1(CCCCC1)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: 8.1422 ± 0.0007 Å
• b: 9.8073 ± 0.0008 Å
• c: 10.319 ± 0.0009 Å
• α: 80.8542 ± 0.0013°
• β: 87.0945 ± 0.0013°
• γ: 86.9151 ± 0.0013°
• Cell volume: 811.61 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No