Crystallography Open Database

Information card for entry 7150620

Preview

Coordinates	7150620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H45 N3 O11
Calculated formula	C38 H45 N3 O11
SMILES	O1C[C@@H](N(C1(C)C)C(=O)OC(C)(C)C)[C@H]([C@H](OCc1ccccc1)[C@@H](OC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)CCC=C)OCc1ccccc1
Title of publication	Convergent, stereoselective syntheses of the glycosidase inhibitors broussonetines D and M
Authors of publication	Ribes, Celia; Falomir, Eva; Murga, Juan; Carda, Miguel; Alberto Marco, J.
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2009
Journal volume	7
Journal issue	7
Pages of publication	1355 - 1360
a	8.3976 ± 0.0011 Å
b	22.631 ± 0.003 Å
c	10.234 ± 0.0014 Å
α	90°
β	102.952 ± 0.004°
γ	90°
Cell volume	1895.4 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2248
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for significantly intense reflections	0.1408
Weighted residual factors for all reflections included in the refinement	0.2022
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation probe	x-ray
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
180292 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/06.	7150620.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150620.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150620.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7150620.cif