The Structure Determination of Simonyellin—a New Lichen Naphthopyran

Autor:	JA Elix, GB Feige, HT Lumbsch, B Mies, JH Wardlaw, AC Willis
Rok vydání:	1995
Předmět:	chemistry.chemical_compound Crystallography Structure analysis chemistry Biocatalysis Ab initio quantum chemistry methods Stereochemistry Supramolecular chemistry General Chemistry Crystal structure Triclinic crystal system Derivative (chemistry) Macromolecule
Zdroj:	Australian Journal of Chemistry. 48:2035
ISSN:	0004-9425
DOI:	10.1071/ch9952035
Popis:	The structure of simonyellin (5,9-dihydroxy-4-methoxy-7-methyl-1H,6H-naphtho[1,8-cd]pyran-1,6-dione), a naphthopyran from the lichen Simonyella variegata Steiner, has been established by X-ray structure analysis of a corresponding tetraacetate derivative. Crystals of simonyellin tetraacetate are triclinic, Pī, a 10.974(2), b 11.282(3), c 20.634(3)Ǻ, α 92.23(2)°, β 100.03(1)°, γ 117.80(2)°; Z 4. Refinement of 2754 data with I > 3σ(I) gave conventional R factors of 0.043 and 0.034.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::c6970a62896be5c62d6e751d2c1170b1 https://doi.org/10.1071/ch9952035 Zobrazit plný text záznamu