Crystallography Open Database

Information card for entry 1503466

Preview

Coordinates	1503466.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Metacridamide A
Formula	C37 H55 N O6
Calculated formula	C37 H55 N O6
SMILES	O1C(=O)[C@H](Cc2ccccc2)NC(=O)C(=C[C@H](C)[C@H](O)C(=C[C@H](C)[C@H](OC(=O)C)C(=C[C@H](C)[C@H]1[C@H](C[C@H](CC)C)C)C)C)C
Title of publication	Metacridamides A and B, Macrocycles from Conidia of the Entomopathogenic Fungus Metarhizium acridum.
Authors of publication	Krasnoff, Stuart B.; Englich, Ulrich; Miller, Paula G.; Shuler, Michael L.; Glahn, Raymond P.; Donzelli, Bruno G. G.; Gibson, Donna M.
Journal of publication	Journal of natural products
Year of publication	2012
Journal volume	75
Journal issue	2
Pages of publication	175 - 180
a	12.48 ± 0.003 Å
b	13.14 ± 0.003 Å
c	21.92 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3594.6 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1287
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.9177 Å
Diffraction radiation type	Synchrotron
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.	1503466.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503466.cif
37848	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 1503466 via cif-deposit CGI script.	1503466.cif