Information card for entry 1555253

Structure parameters

• Formula: C13 H8.64 O2
• Calculated formula: C13 H8.646 O2
• Title of publication: Storing redox equivalent in the phenalenyl backbone towards catalytic multi-electron reduction.
• Authors of publication: Bhunia, Mrinal; Sahoo, Sumeet Ranjan; Shaw, Bikash Kumar; Vaidya, Shefali; Pariyar, Anand; Vijaykumar, Gonela; Adhikari, Debashis; Mandal, Swadhin K.
• Journal of publication: Chemical science
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 31
• Pages of publication: 7433 - 7441
• a: 7.379 ± 0.0005 Å
• b: 14.8543 ± 0.001 Å
• c: 16.8845 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1850.7 ± 0.2 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No