Information card for entry 1515617

Structure parameters

• Formula: C27 H20 O2
• Calculated formula: C27 H20 O2
• SMILES: OC1(c2ccccc2)c2c(C(C1=O)(c1ccccc1)c1ccccc1)cccc2
• Title of publication: Steady state and transient kinetics in crystalline solids: the photochemistry of nanocrystalline 1,1,3-triphenyl-3-hydroxy-2-indanone
• Authors of publication: Kuzmanich, Gregory; Xue, Jiadan; Netto-Ferreira, José-Carlos; Scaiano, J. C.; Platz, Matthew; Garcia-Garibay, Miguel A.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 1497
• a: 8.5144 ± 0.0008 Å
• b: 8.9709 ± 0.0008 Å
• c: 13.415 ± 0.0013 Å
• α: 92.829 ± 0.001°
• β: 103.59 ± 0.001°
• γ: 102.048 ± 0.001°
• Cell volume: 968.8 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No