Crystallography Open Database

Information card for entry 4116393

Preview

Coordinates	4116393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 N2 O9
Calculated formula	C28 H40 N2 O9
SMILES	O=CNc1cccc(c1O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H]([C@@H](OC(=O)[C@@H](C)CC)[C@@H](OC1=O)C)CCCCCC)C
Title of publication	Structure of Antimycin A1, a Specific Electron Transfer Inhibitor of Ubiquinol-Cytochrome c Oxidoreductase
Authors of publication	Hoeon Kim; Lothar Esser; M. Bilayet Hossain; Di Xia; Chang-An Yu; Josep Rizo; Dick van der Helm; Johann Deisenhofer
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	4902 - 4903
a	15.385 ± 0.003 Å
b	8.027 ± 0.002 Å
c	12.471 ± 0.003 Å
α	90°
β	96.34 ± 0.02°
γ	90°
Cell volume	1530.7 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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
Residual factor for all reflections	0.1211
Residual factor for significantly intense reflections	0.0821
Weighted residual factors for all reflections	0.2325
Weighted residual factors for significantly intense reflections	0.1983
Goodness-of-fit parameter for all reflections	1.066
Goodness-of-fit parameter for significantly intense reflections	1.181
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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