Crystallography Open Database

Information card for entry 1507126

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Structure parameters

Formula	C15 H24 Ho0 O3
Calculated formula	C15 H24 O3
SMILES	[C@H]1([C@@H](CC[C@]2(CC[C@@H]([C@@H](CCO)O2)C)O1)C)C#C
Title of publication	Total synthesis of the proposed structure for spirofungin B: a reassignment of the stereochemistry.
Authors of publication	Zanatta, Shannon D.; White, Jonathan M.; Rizzacasa, Mark A.
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	6
Pages of publication	1041 - 1044
a	10.5733 ± 0.001 Å
b	8.6107 ± 0.0008 Å
c	17.3519 ± 0.0016 Å
α	90°
β	107.435 ± 0.002°
γ	90°
Cell volume	1507.2 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0592
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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.	1507126.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.	1507126.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507126.cif
51697	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507126 via cif-deposit CGI script.	1507126.cif