Crystallography Open Database

Information card for entry 1506606

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Structure parameters

Formula	C14 H16 O6
Calculated formula	C14 H16 O6
SMILES	C1(=O)[C@]([C@@H]2[C@H]([C@@H]([C@@H]([C@@H](C)O2)O)O)O1)(c1ccccc1)O
Title of publication	Synthesis of the branched C-glycoside substructure of altromycin B.
Authors of publication	Koo, Bonsuk; McDonald, Frank E.
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	17
Pages of publication	3621 - 3624
a	7.566 ± 0.0014 Å
b	12.748 ± 0.002 Å
c	13.632 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1314.8 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
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	0.0366
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0842
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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
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.	1506606.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.	1506606.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506606.cif
50437	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506606 via cif-deposit CGI script.	1506606.cif