Crystallography Open Database

Information card for entry 1504937

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Structure parameters

Common name	03233
Formula	C30 H41 N O3 Si
Calculated formula	C30 H41 N O3 Si
SMILES	[Si](O[C@@H]([C@@H](N1C2=C(C(=O)CCC2)C[C@@H](O)[C@@H]1C)c1ccccc1)c1ccccc1)(C)(C)C(C)(C)C
Title of publication	Total synthesis of (+)-lepadin F.
Authors of publication	Li, Gang; Hsung, Richard P.; Slafer, Brian W.; Sagamanova, Irina K.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	21
Pages of publication	4991 - 4994
a	11.02 ± 0.002 Å
b	23.824 ± 0.003 Å
c	12.159 ± 0.002 Å
α	90°
β	116.686 ± 0.002°
γ	90°
Cell volume	2852.2 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0497
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	1504937.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.	1504937.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504937.cif
42480	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504937 via cif-deposit CGI script.	1504937.cif