Crystallography Open Database

Information card for entry 1504872

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Structure parameters

Formula	C21 H36 O3 Si
Calculated formula	C21 H36 O3 Si
SMILES	[Si](O[C@H]1CC[C@@]23[C@H]4OC(O[C@H]4[C@@H](C=C2)C[C@H]3C1)(C)C)(C(C)(C)C)(C)C
Title of publication	A formal total synthesis of platencin.
Authors of publication	Austin, Kerrie A. B.; Banwell, Martin G.; Willis, Anthony C.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	20
Pages of publication	4465 - 4468
a	6.4028 ± 0.0001 Å
b	11.4281 ± 0.0003 Å
c	14.5733 ± 0.0003 Å
α	90°
β	91.0892 ± 0.0015°
γ	90°
Cell volume	1066.16 ± 0.04 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0389
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for all reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0322
Weighted residual factors for all reflections included in the refinement	0.0322
Goodness-of-fit parameter for all reflections included in the refinement	1.1161
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.	1504872.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.	1504872.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	1504872.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504872.cif
42426	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504872, 1504873, 1504874, 1504875, 1504876 via cif-deposit CGI script.	1504872.cif