Crystallography Open Database

Information card for entry 4105128

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Coordinates	4105128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H41 B N
Calculated formula	C40 H41 B N
Title of publication	Enhancing the Photochemical Stability of N,C-Chelate Boryl Compounds: C-C Bond Formation versus C=C Bond cis,trans-Isomerization
Authors of publication	Chul Baik; Zachary M. Hudson; Hazem Amarne; Suning Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	14549 - 14559
a	14.8343 ± 0.0003 Å
b	13.9749 ± 0.0003 Å
c	15.5452 ± 0.0003 Å
α	90°
β	102.543 ± 0.002°
γ	90°
Cell volume	3145.73 ± 0.11 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0993
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1546
Weighted residual factors for all reflections included in the refinement	0.1808
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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