Crystallography Open Database

Information card for 7107208

7107207 << 7107208 >> 7107209


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Structure parameters

Formula - C34 H46 B I N4 -
Calculated formula - C34 H44 B I N4 -
Title of publication Cl-BODIPYs: a BODIPY class enabling facile B-substitution
Authors of publication Travis Lundrigan; Sarah M. Crawford; T. Stanley Cameron; Alison Thompson
Journal of publication Chem.Commun.
Year of publication 2012
Journal volume 48
a 10.9061 ± 0.0004 Å
b 14.504 ± 0.0005 Å
c 21.1718 ± 0.0007 Å
α 90°
β 100.216 ± 0.0019°
γ 90°
Cell volume 3295.9 ± 0.2 Å3
Cell temperature 173.1 K
Ambient diffraction temperature 173.1 K
Number of distinct elements 5
Hermann-Mauguin symmetry space group P 1 21/c 1
Hall symmetry space group -P 2ybc
Residual factor for observed reflections 0.0361
Weighted residual factors for all reflections included in the refinement 0.0414
Goodness-of-fit parameter for observed reflections 1.04
Diffraction radiation wavelength 0.7107 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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