Information card for entry 7207435

Structure parameters

• Formula: C49 H56 B2 F4 N6
• Calculated formula: C49 H56 B2 F4 N6
• Title of publication: Crystal structures and solid-state fluorescence of BODIPY dyes based on Λ-shaped Tröger's base
• Authors of publication: Xi, He; Yuan, Chun-Xue; Li, Ye-Xin; Liu, Yang; Tao, Xu-Tang
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2087
• a: 8.6642 ± 0.0003 Å
• b: 11.7031 ± 0.0004 Å
• c: 22.3567 ± 0.0006 Å
• α: 86.773 ± 0.002°
• β: 86.541 ± 0.002°
• γ: 86.636 ± 0.002°
• Cell volume: 2255.73 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0747
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No