Crystallography Open Database

Information card for entry 1557730

Preview

Coordinates	1557730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H25 N O3
Calculated formula	C17 H25 N O3
SMILES	C1(=O)C2=C([C@@]3([C@@H](CC2)C(CCC3)(C)C)C)CN1CC(=O)O
Title of publication	Dysidealactams and Dysidealactones: Sesquiterpene Glycinyl-Lactams, Imides, and Lactones from a Dysidea sp. Marine Sponge Collected in Southern Australia
Authors of publication	Khushi, Shamsunnahar; Salim, Angela A.; Elbanna, Ahmed H.; Nahar, Laizuman; Bernhardt, Paul V.; Capon, Robert J.
Journal of publication	Journal of Natural Products
Year of publication	2020
a	14.3592 ± 0.0005 Å
b	7.0144 ± 0.0003 Å
c	15.9545 ± 0.0007 Å
α	90°
β	94.836 ± 0.003°
γ	90°
Cell volume	1601.24 ± 0.11 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1389
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation probe	x-ray
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
250014 (current)	2020-04-04	cif/ Adding structures of 1557730 via cif-deposit CGI script.	1557730.cif