Information card for entry 7054034

Structure parameters

• Formula: C21 H34 B Br N2 O
• Calculated formula: C21 H34 B Br N2 O
• Title of publication: Regioselective β-pyrrolic electrophilic substitution of hydrodipyrrin‒dialkylboron complexes facilitates access to synthetic models for chlorophyll f
• Authors of publication: Liu, Mengran; Ptaszek, Marcin; Mass, Olga; Minkler, Daniel F.; Sommer, Roger D.; Bhaumik, Jayeeta; Lindsey, Jonathan S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 4
• Pages of publication: 1717
• a: 17.5208 ± 0.0003 Å
• b: 16.5255 ± 0.0003 Å
• c: 15.1765 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4394.2 ± 0.14 ų
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0686
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No