Crystallography Open Database

Information card for entry 7241284

Preview

Coordinates	7241284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H29 N O3
Calculated formula	C19 H29 N O3
SMILES	O1[C@H]2[C@H]([C@@H](C1=O)CN1CCCC1)CCC(=C1[C@@H]2[C@](O)(CC1)C)C
Title of publication	LiCl-promoted amination of β-methoxy amides (γ-lactones)
Authors of publication	Zhao, Ru; Zeng, Bing-Lin; Jia, Wen-Qiang; Zhao, Hong-Yi; Shen, Long-Ying; Wang, Xiao-Jian; Pan, Xian-Dao
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	57
Pages of publication	34938 - 34942
a	6.02107 ± 0.00003 Å
b	12.63736 ± 0.00006 Å
c	23.03193 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1752.51 ± 0.014 Å³
Cell temperature	170 ± 0.12 K
Ambient diffraction temperature	170 ± 0.12 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
258063 (current)	2020-10-06	cif/ Updating files of 7241284 Original log message: Adding full bibliography for 7241284.cif.	7241284.cif
256619	2020-09-22	cif/ Adding structures of 7241284 via cif-deposit CGI script.	7241284.cif