Information card for entry 4032594

Structure parameters

• Formula: C35 H44 Br2 Cl2 N4
• Calculated formula: C35 H44 Br2 Cl2 N4
• Title of publication: Asymmetric Dipyrrin and F-BODIPYs Conjugated to Terminal Alkynes and Alkenes.
• Authors of publication: Figliola, Carlotta; Robertson, Katherine N.; Greening, Sarah; Thompson, Alison
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 13
• Pages of publication: 7059 - 7064
• a: 7.727 ± 0.004 Å
• b: 10.325 ± 0.005 Å
• c: 12.026 ± 0.005 Å
• α: 103.002 ± 0.005°
• β: 102.154 ± 0.005°
• γ: 102.174 ± 0.005°
• Cell volume: 879.7 ± 0.7 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2218
• Weighted residual factors for all reflections included in the refinement: 0.2454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No