Information card for entry 7055984

Structure parameters

• Formula: C30 H25 B F2 N2
• Calculated formula: C30 H25 B F2 N2
• SMILES: c1(c(C#Cc2ccccc2)c(c2C(=c3c(c(c(C)[n]3[B](F)(F)n12)C#Cc1ccccc1)C)C)C)C
• Title of publication: Synthesis, photophysical and concentration-dependent tunable lasing behavior of 2,6-diacetylenyl-functionalized BODIPY dyes
• Authors of publication: Maity, Apurba; Sarkar, Anirban; Sil, Amit; B. N., Shivakiran Bhaktha; Patra, Sanjib K.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 6
• Pages of publication: 2296
• a: 7.1985 ± 0.001 Å
• b: 11.4552 ± 0.0016 Å
• c: 14.805 ± 0.002 Å
• α: 78.169 ± 0.005°
• β: 81.599 ± 0.005°
• γ: 88.276 ± 0.004°
• Cell volume: 1182.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1355
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.368
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No