Crystallography Open Database

Information card for entry 2003308

2003307 << 2003308 >> 2003309

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Coordinates	2003308.cif
Original IUCr paper	HTML

Structure parameters

Formula	C10 H10 O4
Calculated formula	C10 H10 O4
SMILES	COc1cc2COC(=O)c2c(c1C)O
Title of publication	Antifungal Compounds Isolated from New Zealand Flax: 7-Hydroxy-5-methoxy-6-methylphthalide and 4-Methoxycarbonyl-β-orcinol
Authors of publication	Gainsford, G. J.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	4
Pages of publication	709 - 712
a	6.985 ± 0.004 Å
b	16.056 ± 0.022 Å
c	16.566 ± 0.017 Å
α	81.92 ± 0.1°
β	85.05 ± 0.07°
γ	79.34 ± 0.08°
Cell volume	1804 ± 3 Å³
Cell temperature	133 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.111
Goodness-of-fit parameter for significantly intense reflections	1.11
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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