Information card for entry 7111131

Structure parameters

• Formula: C19 H24 O3
• Calculated formula: C19 H24 O3
• SMILES: O=C(C12CCCCC1CCCC2)c1ccc(cc1)C(=O)OC
• Title of publication: Latent chemical behavior revealed in the crystalline state: novel photochemistry of a cis-9-decalyl aryl ketone
• Authors of publication: Cheung, Eugene; Kang, Ting; Scheffer, John R.; Trotter, James
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 23
• Pages of publication: 2309
• a: 13.881 ± 0.005 Å
• b: 6.362 ± 0.002 Å
• c: 18.179 ± 0.008 Å
• α: 90°
• β: 97.77 ± 0.04°
• γ: 90°
• Cell volume: 1590.7 ± 1 ų
• Cell temperature: 294.2 K
• Ambient diffraction temperature: 294.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.2021
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No