Crystallography Open Database

Information card for entry 1557731

Preview

Coordinates	1557731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H26 N O5.5
Calculated formula	C17 H26 N O5.5
SMILES	C1(=O)C2=C(CC[C@@H]3[C@@]2(CCCC3(C)C)C)C(=O)N1CC(=O)O.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	14.3803 ± 0.0005 Å
b	5.9304 ± 0.0002 Å
c	20.8174 ± 0.0014 Å
α	90°
β	102.702 ± 0.005°
γ	90°
Cell volume	1731.88 ± 0.15 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1301
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
250015 (current)	2020-04-04	cif/ Adding structures of 1557731 via cif-deposit CGI script.	1557731.cif