Information card for entry 1547119

Structure parameters

• Formula: C17 H10 O2
• Calculated formula: C17 H10 O2
• SMILES: O1c2c(c3ccccc3C1=O)c1c(cc2)cccc1
• Title of publication: Rh(III)-Catalyzed C-H Activation/Cyclization of Benzamides and Diazonaphthalen-2(1H)-ones for Synthesis of Lactones.
• Authors of publication: Chen, Renjie; Cui, Sunliang
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 15
• Pages of publication: 4002 - 4005
• a: 7.9901 ± 0.0013 Å
• b: 9.9985 ± 0.0016 Å
• c: 16.101 ± 0.003 Å
• α: 101.591 ± 0.003°
• β: 98.611 ± 0.003°
• γ: 107.446 ± 0.003°
• Cell volume: 1171.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0968
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No