Crystallography Open Database

Information card for entry 1540479

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Structure parameters

Formula	C18 H19 N O3
Calculated formula	C18 H19 N O3
SMILES	O=C1N([C@@H]([C@@H]([C@@H]1O)c1ccccc1)[C@H](O)c1ccccc1)C
Title of publication	γ- and δ-Lactams from the Leaves of Clausena lansium.
Authors of publication	Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	11
Pages of publication	2521 - 2530
a	5.9065 ± 0.0003 Å
b	7.9113 ± 0.0003 Å
c	32.9027 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1537.48 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0444
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1540479.cif
170800	2015-12-06	cif/ Updating files of 1540475, 1540476, 1540477, 1540478, 1540479, 1540480, 1540481, 1540482, 1540483, 1540484 Original log message: Adding full bibliography for 1540475--1540484.cif.	1540479.cif
169978	2015-11-04	cif/ Adding structures of 1540479 via cif-deposit CGI script.	1540479.cif