Crystallography Open Database

Information card for entry 4037691

Preview

Coordinates	4037691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 N7 O5 S
Calculated formula	C24 H19 N7 O5 S
Title of publication	Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.
Authors of publication	Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.
Journal of publication	The Journal of organic chemistry
Year of publication	2019
a	63.464 ± 0.002 Å
b	6.8824 ± 0.0001 Å
c	30.4144 ± 0.0012 Å
α	90°
β	129.298 ± 0.006°
γ	90°
Cell volume	10280.4 ± 1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for all reflections	0.1048
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	0.9816
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
245347 (current)	2019-12-19	cif/ Adding structures of 4037691 via cif-deposit CGI script.	4037691.cif