Information card for entry 4122904

Structure parameters

• Formula: C16 H10 O2
• Calculated formula: C16 H10 O2
• SMILES: O=C1C2c3ccccc3C(c3ccccc23)C1=O
• Title of publication: Autocatalytic fluorescence photoactivation.
• Authors of publication: Thapaliya, Ek Raj; Swaminathan, Subramani; Captain, Burjor; Raymo, Françisco M
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 39
• Pages of publication: 13798 - 13804
• a: 8.6876 ± 0.0004 Å
• b: 14.2494 ± 0.0007 Å
• c: 9.2839 ± 0.0005 Å
• α: 90°
• β: 97.417 ± 0.001°
• γ: 90°
• Cell volume: 1139.67 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No