Crystallography Open Database

Information card for entry 4021110

Preview

Coordinates	4021110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H19 N O4
Calculated formula	C14 H19 N O4
SMILES	O[C@H]1[C@H](N(CCC1)C(=O)OC)c1c(OC)cccc1.O[C@@H]1[C@@H](N(CCC1)C(=O)OC)c1c(OC)cccc1
Title of publication	Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines
Authors of publication	Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda
Journal of publication	Journal of Organic Chemistry
Year of publication	2004
Journal volume	69
Pages of publication	7710 - 7719
a	9.717 ± 0.002 Å
b	9.665 ± 0.002 Å
c	14.758 ± 0.003 Å
α	90°
β	105.305 ± 0.008°
γ	90°
Cell volume	1336.8 ± 0.4 Å³
Cell temperature	296.1 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
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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