Information card for entry 1549438

Structure parameters

• Formula: C15 H16 O2
• Calculated formula: C15 H16 O2
• SMILES: O(C(=O)C1(c2ccccc2)[C@@H]2[C@H]1CC=CC2)C
• Title of publication: Blue light-promoted photolysis of aryldiazoacetates.
• Authors of publication: Jurberg, Igor D.; Davies, Huw M. L.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 22
• Pages of publication: 5112 - 5118
• a: 8.6189 ± 0.0002 Å
• b: 8.0477 ± 0.0002 Å
• c: 8.6853 ± 0.0001 Å
• α: 90°
• β: 101.24 ± 0.002°
• γ: 90°
• Cell volume: 590.88 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No