Crystallography Open Database

Information card for entry 1505932

Preview

Coordinates	1505932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H29 N O4 S
Calculated formula	C26 H29 N O4 S
SMILES	Cc1ccc(cc1)S(=O)(=O)n1c2ccc3C(=O)[C@H]4C(C)(C)OC(C)(C)[C@@H]4Cc3c2c(C)c1.Cc1ccc(cc1)S(=O)(=O)n1c2ccc3C(=O)[C@@H]4C(C)(C)OC(C)(C)[C@H]4Cc3c2c(C)c1
Title of publication	Synthesis of the western half of the lolicines and lolitrems.
Authors of publication	England, Dylan B.; Magolan, Jakob; Kerr, Michael A.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	11
Pages of publication	2209 - 2212
a	10.8414 ± 0.0008 Å
b	10.9897 ± 0.0006 Å
c	11.1654 ± 0.0006 Å
α	82.275 ± 0.003°
β	80.529 ± 0.003°
γ	63.336 ± 0.003°
Cell volume	1169.84 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
176729 (current)	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.	1505932.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505932.cif
47861	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505932 via cif-deposit CGI script.	1505932.cif