Crystallography Open Database

Information card for entry 7158389

Preview

Coordinates	7158389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H20 F3 N O4
Calculated formula	C13 H20 F3 N O4
Title of publication	New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.
Authors of publication	Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	45
Pages of publication	9925 - 9935
a	13.671 ± 0.002 Å
b	5.8015 ± 0.0008 Å
c	18.074 ± 0.002 Å
α	90°
β	93.43 ± 0.014°
γ	90°
Cell volume	1430.9 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1629
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.1661
Weighted residual factors for all reflections included in the refinement	0.2356
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271226 (current)	2021-12-07	cif/ Updating files of 7158386, 7158387, 7158388, 7158389, 7158390, 7158391, 7158392, 7158393, 7158394 Original log message: Adding full bibliography for 7158386--7158394.cif.	7158389.cif
270320	2021-11-05	cif/ Adding structures of 7158386, 7158387, 7158388, 7158389, 7158390, 7158391, 7158392, 7158393, 7158394 via cif-deposit CGI script.	7158389.cif