Information card for entry 7155391

Structure parameters

• Formula: C43 H9 F19 N4 O3
• Calculated formula: C43 H9 F19 N4 O3
• Title of publication: Oxidations of chromene-annulated chlorins.
• Authors of publication: Hewage, Nisansala; Zeller, Matthias; Brückner, Christian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 396 - 407
• a: 7.5252 ± 0.0007 Å
• b: 24.2334 ± 0.0017 Å
• c: 15.7891 ± 0.0016 Å
• α: 90°
• β: 90.167 ± 0.004°
• γ: 90°
• Cell volume: 2879.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.1481
• Residual factor for significantly intense reflections: 0.1288
• Weighted residual factors for significantly intense reflections: 0.3683
• Weighted residual factors for all reflections included in the refinement: 0.3961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.477
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No