Crystallography Open Database

Information card for entry 7245268

Preview

Coordinates	7245268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H19 N O
Calculated formula	C15 H19 N O
SMILES	O(N=C1/C(=C/c2ccccc2)CCC1)C(C)C
Title of publication	Cationic palladium(ii)-catalyzed synthesis of substituted pyridines from α,β-unsaturated oxime ethers
Authors of publication	Yamada, Takahiro; Hashimoto, Yoshimitsu; Tanaka, Kosaku; Morita, Nobuyoshi; Tamura, Osamu
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	33
Pages of publication	21548 - 21557
a	7.3602 ± 0.0003 Å
b	6.965 ± 0.0003 Å
c	50.466 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2587.08 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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

Version history

Revision	Date	Message	Files
298328 (current)	2025-03-07	cif/7: Fixing Z values and formulae	7245268.cif
277076	2022-08-05	cif/ Adding structures of 7245268 via cif-deposit CGI script.	7245268.cif