Crystallography Open Database

Information card for entry 1540480

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Structure parameters

Formula	C18 H17 N O2
Calculated formula	C18 H17 N O2
SMILES	O=C1N(/C(=C/c2ccccc2)[C@@H](c2ccccc2)[C@@H]1O)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	6.0722 ± 0.0002 Å
b	8.115 ± 0.0003 Å
c	29.7039 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1463.69 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0304
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.159
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.	1540480.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.	1540480.cif
169979	2015-11-04	cif/ Adding structures of 1540480 via cif-deposit CGI script.	1540480.cif