Crystallography Open Database

Information card for entry 7158788

Preview

Coordinates	7158788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 N O
Calculated formula	C19 H19 N O
SMILES	O(NC(c1ccc2c(cccc2)c1)C)Cc1ccccc1
Title of publication	Synthesis of N-alkoxy amines and hydroxylamines via the iridium-catalyzed transfer hydrogenation of oximes
Authors of publication	Xia, Yanping; Wang, Sen; Miao, Rui; Liao, Jianhua; Ouyang, Lu; Luo, Renshi
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2022
a	5.7379 ± 0.0003 Å
b	8.2844 ± 0.0005 Å
c	31.6487 ± 0.0019 Å
α	90°
β	91.477 ± 0.006°
γ	90°
Cell volume	1503.92 ± 0.15 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	4
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	0.0784
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1686
Weighted residual factors for all reflections included in the refinement	0.1769
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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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