Crystallography Open Database

Information card for entry 1505818

Preview

Coordinates	1505818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 N2 O7 S
Calculated formula	C24 H29 N2 O7 S
SMILES	S(=O)(=O)(N1CC=C2[C@]3(C1)[C@@H](N(CC3)C(=O)OC(C)(C)C)[C@@](O)([C@@H]2O)/C=C\CO)c1ccccc1.S(=O)(=O)(N1CC=C2[C@@]3(C1)[C@H](N(CC3)C(=O)OC(C)(C)C)[C@](O)([C@H]2O)/C=C\CO)c1ccccc1
Title of publication	Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A.
Authors of publication	Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	1
Pages of publication	27 - 30
a	26.507 ± 0.007 Å
b	18.459 ± 0.003 Å
c	12.035 ± 0.002 Å
α	90°
β	106.22 ± 0.02°
γ	90°
Cell volume	5654 ± 2 Å³
Cell temperature	298.2 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 significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.97
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1505818.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505818.cif
47764	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505818 via cif-deposit CGI script.	1505818.cif