Information card for entry 7111132

Structure parameters

• Formula: C19 H24 O3
• Calculated formula: C19 H24 O3
• SMILES: O[C@]1([C@@H]2CCC[C@]31[C@H]2CCCC3)c1ccc(cc1)C(=O)OC.O[C@@]1([C@H]2CCC[C@@]31[C@@H]2CCCC3)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: 8.083 ± 0.003 Å
• b: 17.365 ± 0.007 Å
• c: 6.182 ± 0.002 Å
• α: 90.99 ± 0.03°
• β: 109.53 ± 0.03°
• γ: 79.04 ± 0.03°
• Cell volume: 801.9 ± 0.5 ų
• Cell temperature: 294.2 K
• Ambient diffraction temperature: 294.2 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: 0.0706
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections: 3.602
• Goodness-of-fit parameter for all reflections included in the refinement: 3.393
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No