Information card for entry 7230910

Structure parameters

• Formula: C29 H18 O
• Calculated formula: C29 H18 O
• Title of publication: Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation.
• Authors of publication: Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 28
• Pages of publication: 19120 - 19128
• a: 6.635 ± 0.005 Å
• b: 15.315 ± 0.005 Å
• c: 19.049 ± 0.005 Å
• α: 90 ± 0.005°
• β: 98.654 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1913.6 ± 1.7 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: 0.054
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No