Information card for entry 1568961

Structure parameters

• Formula: C38 H30 O6
• Calculated formula: C38 H30 O6
• Title of publication: Quantum chain amplification in nanocrystalline Dewar benzenes by intramolecular sensitization.
• Authors of publication: Rivera, Edris; Paul, Indrajit; Fajardo, Jr, Javier; Garcia-Garibay, Miguel A
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 5802 - 5810
• a: 16.1374 ± 0.0005 Å
• b: 10.0281 ± 0.0003 Å
• c: 20.5528 ± 0.0005 Å
• α: 90°
• β: 112.651 ± 0.0017°
• γ: 90°
• Cell volume: 3069.46 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No