Information card for entry 4022604

Structure parameters

• Formula: C21 H24 B I N2 O2
• Calculated formula: C21 H24 B I N2 O2
• Title of publication: Convenient Method To Access New 4,4-Dialkoxy- and 4,4-Diaryloxy-diaza-s-indacene Dyes: Synthesis and Spectroscopic Evaluation
• Authors of publication: Chouaib Tahtaoui; Cécile Thomas; François Rohmer; Philippe Klotz; Guy Duportail; Yves Mély; Dominique Bonnet; Marcel Hibert
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 269 - 272
• a: 13.2339 ± 0.0004 Å
• b: 13.8249 ± 0.0007 Å
• c: 12.6481 ± 0.0006 Å
• α: 90°
• β: 116.948 ± 0.005°
• γ: 90°
• Cell volume: 2062.8 ± 0.2 ų
• Cell temperature: 174 K
• Ambient diffraction temperature: 174 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.033
• Goodness-of-fit parameter for all reflections: 2.474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No