Crystallography Open Database

Information card for entry 7156903

Preview

Coordinates	7156903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 N3 O3
Calculated formula	C25 H27 N3 O3
Title of publication	Facile construction of diverse polyheterocyclic scaffolds via gold-catalysed dearomative spirocyclization/1,6-addition cascade.
Authors of publication	He, Yi; Wu, Danjun; Li, Zhenghua; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Erik V.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	25
Pages of publication	6284 - 6292
a	8.6931 ± 0.00018 Å
b	24.9324 ± 0.0006 Å
c	9.8261 ± 0.0002 Å
α	90°
β	90.438 ± 0.002°
γ	90°
Cell volume	2129.65 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	4
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	0.0419
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation probe	x-ray
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
225176 (current)	2019-11-08	cif/ Updating files of 7156903, 7156904 Original log message: Adding full bibliography for 7156903--7156904.cif.	7156903.cif
215808	2019-06-11	cif/ Adding structures of 7156903, 7156904 via cif-deposit CGI script.	7156903.cif