Crystallography Open Database

Information card for entry 1555705

Preview

Coordinates	1555705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 N O4
Calculated formula	C16 H19 N O4
SMILES	O=C1O[C@@]2([C@@H]3C[C@H]4OC(=O)[C@@]3(C[C@]32NCCC[C@H]43)C)C=C1
Title of publication	Annotinolides A-C, Three Lycopodane-Derived 8,5-Lactones with Polycyclic Skeletons from Lycopodium annotinum.
Authors of publication	Tang, Yu; Xiong, Juan; Zhang, Jing-Jing; Wang, Wei; Zhang, Hai-Yan; Hu, Jin-Feng
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	17
Pages of publication	4376 - 4379
a	7.8847 ± 0.0004 Å
b	12.731 ± 0.0006 Å
c	13.5189 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1357.03 ± 0.12 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.034
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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