Crystallography Open Database

Information card for entry 7159581

Preview

Coordinates	7159581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 N O3
Calculated formula	C21 H19 N O3
SMILES	O(C(=O)[C@]1(c2ccccc2)[C@H]2N(c3ccccc3)C(=O)C=C[C@@]12C)C.O(C(=O)[C@@]1(c2ccccc2)[C@@H]2N(c3ccccc3)C(=O)C=C[C@]12C)C
Title of publication	Regioselective [2 + 1] photocycloaddition of 2-pyridones with diazo compounds.
Authors of publication	He, Fengya; Sun, Ziyi; Li, Chenyue; Jiang, Zibin; Miao, Hui; Li, Qinglin; Wu, Chenggui
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	41
Pages of publication	8273 - 8278
a	11.0203 ± 0.0006 Å
b	12.3994 ± 0.0006 Å
c	13.7932 ± 0.0008 Å
α	90°
β	110.799 ± 0.006°
γ	90°
Cell volume	1761.95 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1754
Weighted residual factors for all reflections included in the refinement	0.192
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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

Version history

Revision	Date	Message	Files
287403 (current)	2023-11-06	cif/ Updating files of 7159580, 7159581 Original log message: Adding full bibliography for 7159580--7159581.cif.	7159581.cif
286644	2023-10-04	cif/ Adding structures of 7159580, 7159581 via cif-deposit CGI script.	7159581.cif