Information card for entry 1550308

Structure parameters

• Formula: C40 H47.5 B0.5 N2 O4.5
• Calculated formula: C40 H47.5 B0.5 N2 O4.5
• Title of publication: Transforming Atmospheric CO2 into Alternative Fuels: a Metal-Free Approach under Ambient Conditions
• Authors of publication: Mandal, Swadhin K.; Sau, Samaresh Ch; Bhattacharjee, Rameswar; Hota, Pradip kumar; Vardhanapu, Pavan Kumar; vijaykumar, gonela; Govindarajan, R.; Datta, Ayan
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 19.3779 ± 0.0019 Å
• b: 14.5134 ± 0.0016 Å
• c: 13.085 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3680 ± 0.8 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2081
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0616
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No