Crystallography Open Database

Information card for entry 4100216

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Coordinates	4100216.cif
Original paper (by DOI)	HTML
External links	ChemSpider

Structure parameters

Formula	C48 H55 N O10
Calculated formula	C48 H55 N O10
SMILES	C(=O)(C)C.COc1ccc(cc1)COc1c(c2c(c(c1)OCc1ccc(cc1)OC)C(=O)O[C@H](C2)[C@H](C)[C@H](C[C@@H]1C([C@@H](C[C@@H](C#N)O1)OCc1ccccc1)(C)C)O)C
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	6.552 ± 0.0003 Å
b	38.443 ± 0.0003 Å
c	8.845 ± 0.0003 Å
α	90°
β	95.89 ± 0.02°
γ	90°
Cell volume	2216.11 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4100216.cif
178748	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/02.	4100216.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4100216.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4100216.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4100216.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	4100216.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4100216.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4100216.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	4100216.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4100216.cif