Crystallography Open Database

Information card for entry 1520708

1520707 << 1520708 >> 1520709

Preview

Coordinates	1520708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 N3 O4
Calculated formula	C15 H15 N3 O4
Title of publication	(+)- and (-)-Spiroreticulatine, A Pair of Unusual Spiro Bisheterocyclic Quinoline-imidazole Alkaloids from the South China Sea Sponge Fascaplysinopsis reticulata.
Authors of publication	Wang, Qi; Tang, Xuli; Luo, Xiangchao; de Voogd, Nicole J.; Li, Pinglin; Li, Guoqiang
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	14
Pages of publication	3458 - 3461
a	11.4762 ± 0.0003 Å
b	7.95324 ± 0.00015 Å
c	16.5869 ± 0.0005 Å
α	90°
β	107.894 ± 0.003°
γ	90°
Cell volume	1440.7 ± 0.07 Å³
Cell temperature	294.39 ± 0.1 K
Ambient diffraction temperature	294.39 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
152919 (current)	2015-08-05	cif/ Updating files of 1520708 Original log message: Adding full bibliography for 1520708.cif.	1520708.cif
139826	2015-07-01	cif/ Adding structures of 1520708 via cif-deposit CGI script.	1520708.cif