Crystallography Open Database

Information card for entry 1504199

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Structure parameters

Formula	C22 H27 N O7
Calculated formula	C22 H27 N O7
SMILES	c1cc(ccc1OC)N1[C@]([C@@H](C1=O)O[C@@H]1[C@H]([C@H]2[C@@H]([C@H](C)O1)OC(C)(C)O2)O)(C#C)C
Title of publication	Brønsted acid-promoted glycosylations of disaccharide glycal substructures of the saccharomicins.
Authors of publication	Balthaser, Bradley R.; McDonald, Frank E.
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	21
Pages of publication	4850 - 4853
a	13.2879 ± 0.0005 Å
b	9.2997 ± 0.0004 Å
c	17.411 ± 0.0007 Å
α	90°
β	100.194 ± 0.002°
γ	90°
Cell volume	2117.57 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0483
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1504199.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.	1504199.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504199.cif
39490	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504199 via cif-deposit CGI script.	1504199.cif