Information card for entry 1547097

Structure parameters

• Formula: C17 H16 O2
• Calculated formula: C17 H16 O2
• SMILES: OC1(Cc2ccccc2)C(=O)c2c(cccc2)CC1
• Title of publication: Transition-Metal-Free C-H Hydroxylation of Carbonyl Compounds.
• Authors of publication: Chaudhari, Moreshwar B.; Sutar, Yogesh; Malpathak, Shreyas; Hazra, Anirban; Gnanaprakasam, Boopathy
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 3628 - 3631
• a: 12.241 ± 0.004 Å
• b: 5.7694 ± 0.0018 Å
• c: 18.543 ± 0.006 Å
• α: 90°
• β: 101.136 ± 0.008°
• γ: 90°
• Cell volume: 1284.9 ± 0.7 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: 0.1276
• Residual factor for significantly intense reflections: 0.1097
• Weighted residual factors for significantly intense reflections: 0.382
• Weighted residual factors for all reflections included in the refinement: 0.3919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No