Information card for entry 7232820

Structure parameters

• Formula: C27 H33 B N2 O4
• Calculated formula: C27 H33 B N2 O4
• Title of publication: Solid-state emissive O-BODIPY dyes with bimodal emissions across red and near infrared region
• Authors of publication: El-Ali, H. A. Abdulhadi; Jing, Jing; Zhang, Xiaoling
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 28
• Pages of publication: 16246
• a: 7.7324 ± 0.0004 Å
• b: 11.8306 ± 0.0006 Å
• c: 27.4051 ± 0.0013 Å
• α: 90°
• β: 94.226 ± 0.002°
• γ: 90°
• Cell volume: 2500.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.2144
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No