Crystallography Open Database

Information card for entry 1573238

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Coordinates	1573238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H29 Li N2
Calculated formula	C15 H29 Li N2
Title of publication	Unlocking Regioselectivity: Steric Effects and Conformational Constraints of Lewis Bases in Alkyllithium-Initiated Butadiene Polymerization
Authors of publication	Tang, Jian; Fu, Yuan; Hua, Jing; Zhang, Jiahao; Peng, Shuoli; Li, Zhibo
Journal of publication	Chemical Science
Year of publication	2024
a	8.9379 ± 0.0003 Å
b	12.3047 ± 0.0004 Å
c	14.7566 ± 0.0005 Å
α	89.051 ± 0.003°
β	74.903 ± 0.003°
γ	86.783 ± 0.003°
Cell volume	1564.42 ± 0.09 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0896
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.192
Weighted residual factors for all reflections included in the refinement	0.2026
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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