Crystallography Open Database

Information card for entry 1506607

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Structure parameters

Formula	C16 H22 O7
Calculated formula	C16 H22 O7
SMILES	C1(=O)[C@]([C@@H]2[C@H]([C@@H]([C@@H]([C@@H](C)O2)O)OC)O1)(c1ccccc1)O.OC
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	8.2807 ± 0.0005 Å
b	12.6741 ± 0.0008 Å
c	15.0669 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1581.28 ± 0.17 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	0.0408
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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.	1506607.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.	1506607.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506607.cif
50438	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506607 via cif-deposit CGI script.	1506607.cif