Information card for entry 1550307

Structure parameters

• Formula: C43 H52 B N2 O5
• Calculated formula: C43 H52 B N2 O5
• 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: 12.6081 ± 0.0005 Å
• b: 14.3388 ± 0.0006 Å
• c: 22.0714 ± 0.0007 Å
• α: 90°
• β: 98.028 ± 0.004°
• γ: 90°
• Cell volume: 3951.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0766
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No