Information card for entry 4032593

Structure parameters

• Formula: C17 H25 Br N2
• Calculated formula: C17 H25 Br N2
• 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: 8.748 ± 0.0006 Å
• b: 24.241 ± 0.0013 Å
• c: 9.1766 ± 0.0006 Å
• α: 90°
• β: 118.248 ± 0.002°
• γ: 90°
• Cell volume: 1714.24 ± 0.19 ų
• Cell temperature: 297.1 K
• Ambient diffraction temperature: 297 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No