Information card for entry 2214375

Structure parameters

• Chemical name: 8-{4-[<i>N</i>,<i>N</i>-Bis(2-chloroethyl)amino]phenyl}-4,4-difluoro- 1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-<i>s</i>-indacene
• Formula: C23 H26 B Cl2 F2 N3
• Calculated formula: C23 H26 B Cl2 F2 N3
• Title of publication: 8-{4-[<i>N</i>,<i>N</i>-Bis(2-chloroethyl)amino]phenyl}-4,4-difluoro-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-<i>s</i>-indacene
• Authors of publication: Mao-Zhong Tian; Shang Gao; Xiao-Jun Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3317 - o3317
• a: 7.2673 ± 0.0002 Å
• b: 12.3571 ± 0.0002 Å
• c: 13.2963 ± 0.0002 Å
• α: 92.65 ± 0.001°
• β: 101.089 ± 0.001°
• γ: 90.205 ± 0.001°
• Cell volume: 1170.4 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections: 1.033
• 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: Yes