Crystallography Open Database

Information card for entry 4104686

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Structure parameters

Formula	C27 H39 B N2
Calculated formula	C27 H39 B N2
SMILES	B1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C
Title of publication	Chemistry of Boryllithium: Synthesis, Structure, and Reactivity
Authors of publication	Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	9600 - 9600
a	7.413 ± 0.005 Å
b	9.362 ± 0.007 Å
c	18.458 ± 0.014 Å
α	77.366 ± 0.018°
β	86.92 ± 0.02°
γ	77.526 ± 0.019°
Cell volume	1220.4 ± 1.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1329
Residual factor for significantly intense reflections	0.0925
Weighted residual factors for significantly intense reflections	0.2483
Weighted residual factors for all reflections included in the refinement	0.2771
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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