Crystallography Open Database

Information card for entry 7113403

Preview

Coordinates	7113403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 N2 O4
Calculated formula	C27 H30 N2 O4
Title of publication	Enantioselective formal synthesis of uleine alkaloids from phenylglycinol-derived bicyclic lactams.
Authors of publication	Amat, Mercedes; Pérez, Maria; Llor, Núria; Martinelli, Marisa; Molins, Elies; Bosch, Joan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	14
Pages of publication	1602 - 1603
a	8.931 ± 0.002 Å
b	9.599 ± 0.001 Å
c	28.08 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	2407.3 ± 1 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
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	0.0981
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation probe	x-ray
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
180248 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/34.	7113403.cif
114629	2014-05-28	cif/ Adding structures of 7113403 via cif-deposit CGI script.	7113403.cif