Crystallography Open Database

Information card for entry 1505803

Preview

Coordinates	1505803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H38 N2 O10
Calculated formula	C36 H38 N2 O10
SMILES	O(C(=O)c1ccc(N(=O)=O)cc1)C/C=C(/[C@H]1[C@@H](/C=C/C=C/C(=O)OC)[C@H]2[C@H](C=C1C)[C@@H](OC(=O)c1ccc(N(=O)=O)cc1)CC[C@@H]2C)C
Title of publication	Carneic acids A and B, chemotaxonomically significant antimicrobial agents from the xylariaceous ascomycete Hypoxylon carneum.
Authors of publication	Quang, Dang Ngoc; Stadler, Marc; Fournier, Jacques; Asakawa, Yoshinori
Journal of publication	Journal of natural products
Year of publication	2006
Journal volume	69
Journal issue	8
Pages of publication	1198 - 1202
a	6.564 ± 0.0002 Å
b	15.654 ± 0.0006 Å
c	16.701 ± 0.0006 Å
α	94.618 ± 0.0005°
β	92.568 ± 0.0005°
γ	100.754 ± 0.0005°
Cell volume	1677.32 ± 0.1 Å³
Cell temperature	100 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	0.1049
Residual factor for significantly intense reflections	0.0869
Weighted residual factors for significantly intense reflections	0.2313
Weighted residual factors for all reflections included in the refinement	0.252
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1505803.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505803.cif
47750	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505803 via cif-deposit CGI script.	1505803.cif