Crystallography Open Database

Information card for entry 2000437

2000436 << 2000437 >> 2000438

Preview

Coordinates	2000437.cif
Original IUCr paper	HTML

Structure parameters

Formula	C54 H95 N9 O17
Calculated formula	C54 N9 O18
SMILES	CCCCCCC[C@@H](CC(N[C@@H](C(N[C@H](C(N[C@H]1[C@H](C)OC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CC(C)C)NC([C@@H](NC([C@@H](NC([C@@H](NC1=O)C(C)C)=O)CC(C)C)=O)CO)=O)[C@@H](CC)C)=O)CCC(=O)O)=O)CC(C)C)=O)O.O
Title of publication	Structure of the white-line-inducing principle isolated from <i>Pseudomonas reactans</i>
Authors of publication	Han, F.; Mortishire-Smith, R. J.; Rainey, P. B.; Williams, D. H.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	11
Pages of publication	1965 - 1968
a	14.23 ± 0.001 Å
b	24.37 ± 0.005 Å
c	18.78 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6512.6 ± 1.6 Å³
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	Cu
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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