Crystallography Open Database

Information card for entry 4109582

Preview

Coordinates	4109582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H37 N O4 Si
Calculated formula	C27 H37 N O4 Si
Title of publication	Synthesis of Pyrrolo-isoquinolines Related to the Lamellarins Using Silver-Catalyzed Cycloisomerization/Dipolar Cycloaddition
Authors of publication	Shun Su; John A. Porco
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	7744 - 7745
a	15.4051 ± 0.0016 Å
b	8.4192 ± 0.0008 Å
c	20.955 ± 0.002 Å
α	90°
β	97.664 ± 0.005°
γ	90°
Cell volume	2693.6 ± 0.5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178841 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/95.	4109582.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109582.cif
58359	2012-05-28	cif/ Adding structures of 4109582 via cif-deposit CGI script.	4109582.cif