Crystallography Open Database

Information card for entry 1567071

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Coordinates	1567071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 N O2
Calculated formula	C17 H15 N O2
Title of publication	Practical asymmetric amine nucleophilic approach for the modular construction of protected α-quaternary amino acids
Authors of publication	Liu, Teng; Ni, Shaofei; Guo, Wusheng
Journal of publication	Chemical Science
Year of publication	2022
a	9.65133 ± 0.00009 Å
b	11.74209 ± 0.00011 Å
c	25.3227 ± 0.0002 Å
α	90°
β	90.6825 ± 0.0008°
γ	90°
Cell volume	2869.54 ± 0.04 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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