Crystallography Open Database

Information card for entry 4026587

Preview

Coordinates	4026587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H60 O7 Si2
Calculated formula	C31 H60 O7 Si2
SMILES	[Si](O[C@@H]1[C@H](C(=O)O[C@@H]([C@@](O)(C=CC(=O)CC[C@@](O[Si](C)(C)C(C)(C)C)([C@H](OC)C1)C)C)CC)C)(C)(C)C(C)(C)C
Title of publication	Total Synthesis of (-)-4,8,10-Tridesmethyl Telithromycin
Authors of publication	Venkata Velvadapu; Tapas Paul; Bharat Wagh; Ian Glassford; Charles DeBrosse; Rodrigo B. Andrade
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	7516 - 7527
a	14.5401 ± 0.0015 Å
b	15.8885 ± 0.0015 Å
c	18.4527 ± 0.0015 Å
α	86.76 ± 0.005°
β	79.926 ± 0.005°
γ	64.92 ± 0.005°
Cell volume	3800.8 ± 0.6 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0944
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.1958
Weighted residual factors for all reflections included in the refinement	0.2169
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
178444 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/65.	4026587.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4026587.cif
39689	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4026587 via cif-deposit CGI script.	4026587.cif