Crystallography Open Database

Information card for entry 1504930

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Structure parameters

Formula	C16 H23 N O5
Calculated formula	C16 H23 N O5
SMILES	C1(=C\OC)/[C@H]2[C@H]([C@@H]3CCOC(=O)[C@@H]3N2CCC1)C(=O)OCC
Title of publication	A versatile cascade of intramolecular Vilsmeier-Haack and azomethine ylide 1,3-dipolar cycloaddition toward tricyclic cores of alkaloids.
Authors of publication	Lévesque, François; Bélanger, Guillaume
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	21
Pages of publication	4939 - 4942
a	7.221 ± 0.005 Å
b	10.099 ± 0.003 Å
c	20.92 ± 0.013 Å
α	90°
β	90°
γ	90°
Cell volume	1525.6 ± 1.5 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 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	0.1234
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	0.958
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1504930.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504930.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504930.cif
42473	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504930 via cif-deposit CGI script.	1504930.cif