Crystallography Open Database

Information card for entry 2011726

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Structure parameters

Formula	C43 H68 O11
Calculated formula	C43 H68 O11
SMILES	OC(=O)c1c(O)c(ccc1CC[C@H]([C@H](O)[C@@H](C(=O)[C@@H]([C@H]1O[C@@]2(O[C@]3(O[C@@](C[C@H]3C)([C@@H]3O[C@@](CC3)([C@H](O)C)C)CC)CC=C2)[C@@H](C[C@@H]1C)C)CC)C)C)C.O
Title of publication	Polyether antibiotic CP44,161
Authors of publication	Allen, Paul; Brimble, Margaret A.; Turner, Peter
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	1
Pages of publication	95 - 96
a	12.373 ± 0.002 Å
b	31.939 ± 0.002 Å
c	11.064 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4372.3 ± 1.1 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	3
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	0.1518
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	0.942
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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