Information card for entry 7006871
Formula
C36 H63 B3 N6
Calculated formula
C36 H63 B3 N6
SMILES
B1(N(C=CN1C(C)(C)C)C(C)(C)C)c1cc(B2N(C=CN2C(C)(C)C)C(C)(C)C)cc(B2N(C=CN2C(C)(C)C)C(C)(C)C)c1
Title of publication
Syntheses, structures, luminescence and electrochemistry of benzene- and biphenyl-centered bis- and tris-1,3,2-diazaboroles and -1,3,2-diazaborolidines.
Authors of publication
Weber, Lothar; Domke, Imme; Schmidt, Christian; Braun, Thomas; Stammler, Hans-Georg; Neumann, Beate
Journal of publication
Dalton transactions (Cambridge, England : 2003)
Year of publication
2006
Journal issue
17
Pages of publication
2127 - 2132
a
10.72 ± 0.0003 Å
b
16.298 ± 0.0005 Å
c
21.592 ± 0.0005 Å
α
90°
β
93.226 ± 0.0016°
γ
90°
Cell volume
3766.46 ± 0.18 Å3
Cell temperature
95 ± 2 K
Ambient diffraction temperature
95 ± 2 K
Number of distinct elements
4
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
0.1212
Residual factor for significantly intense reflections
0.0534
Weighted residual factors for significantly intense reflections
0.106
Weighted residual factors for all reflections included in the refinement
0.1256
Goodness-of-fit parameter for all reflections included in the refinement
0.972
Diffraction radiation wavelength
0.71073 Å
Diffraction radiation type
MoKα
Has coordinates
Yes
Has disorder
No
Has Fobs
No
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