Crystallography Open Database

Information card for entry 7159087

Preview

Coordinates	7159087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 F3 N O4
Calculated formula	C24 H28 F3 N O4
Title of publication	Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.
Authors of publication	Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	7
Pages of publication	1440 - 1449
a	9.0266 ± 0.0017 Å
b	11.611 ± 0.002 Å
c	20.467 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2145.1 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.059
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
281587 (current)	2023-03-04	cif/ Updating files of 7159086, 7159087, 7159088, 7159089, 7159090 Original log message: Adding full bibliography for 7159086--7159090.cif.	7159087.cif
280426	2023-01-19	cif/ Adding structures of 7159086, 7159087, 7159088, 7159089, 7159090 via cif-deposit CGI script.	7159087.cif