Crystallography Open Database

Information card for entry 4127277

Preview

Coordinates	4127277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H17 F2 N O
Calculated formula	C15 H17 F2 N O
SMILES	FC1(F)C2(C3(N(CC2)Cc2ccccc2)COC3)C1
Title of publication	Streamlined Synthesis of C(sp<sup>3</sup>)-Rich N-Heterospirocycles Enabled by Visible-Light-Mediated Photocatalysis.
Authors of publication	Flodén, Nils J; Trowbridge, Aaron; Willcox, Darren; Walton, Scarlett M.; Kim, Yongjoon; Gaunt, Matthew J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	21
Pages of publication	8426 - 8430
a	5.7759 ± 0.0002 Å
b	10.3846 ± 0.0004 Å
c	11.5759 ± 0.0004 Å
α	76.493 ± 0.002°
β	89.622 ± 0.003°
γ	78.571 ± 0.002°
Cell volume	661.16 ± 0.04 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223209 (current)	2019-11-04	cif/ Updating files of 4127277, 4127278 Original log message: Adding full bibliography for 4127277--4127278.cif.	4127277.cif
215327	2019-05-21	cif/ Adding structures of 4127277 via cif-deposit CGI script.	4127277.cif