Crystallography Open Database

Information card for entry 7158445

Preview

Coordinates	7158445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 N2 O3
Calculated formula	C19 H16 N2 O3
Title of publication	Synthesis of methylene-bridged α,β-unsaturated ketones: α-C<sub>sp<sup>3</sup></sub>-H methylenation of aromatic ketones using Selectfluor as a mild oxidant.
Authors of publication	Zhang, Yuan; Liu, Zhiqi; Zhu, Tingyu; Huang, Ying; Fan, Weibin; Huang, Deguang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2022
Journal volume	20
Journal issue	2
Pages of publication	415 - 419
a	9.9698 ± 0.0002 Å
b	14.9389 ± 0.0003 Å
c	21.1714 ± 0.0004 Å
α	90°
β	91.459 ± 0.002°
γ	90°
Cell volume	3152.2 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0557
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272773 (current)	2022-02-04	cif/ Updating files of 7158444, 7158445 Original log message: Adding full bibliography for 7158444--7158445.cif.	7158445.cif
271462	2021-12-16	cif/ Adding structures of 7158444, 7158445 via cif-deposit CGI script.	7158445.cif