Crystallography Open Database

Information card for entry 7134054

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Coordinates	7134054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H50 F6 N2 O8 S
Calculated formula	C28 H50 F6 N2 O8 S
Title of publication	Convenient Lanthanum-Mediated Synthesis of Bulky tert-Alkyl Amines from Nitriles
Authors of publication	Burke, Emily K.; Speed, Alexander William Harrison; Robertson, Katherine Nancy
Journal of publication	Chemical Communications
Year of publication	2025
a	15.9823 ± 0.0005 Å
b	10.6216 ± 0.0003 Å
c	21.5922 ± 0.0006 Å
α	90°
β	108.119 ± 0.001°
γ	90°
Cell volume	3483.67 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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