Crystallography Open Database

Information card for entry 2000197

2000196 << 2000197 >> 2000198

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Coordinates	2000197.cif
Original IUCr paper	HTML

Structure parameters

Formula	C22 H20 O5
Calculated formula	C22 H20 O5
SMILES	COc1cc(CC)cc2c1c1cc(OC)c3c(c1oc2=O)c(OC)ccc3
Title of publication	Structure of 8-ethyl-4,10,12-trimethoxy-6<i>H</i>-benzo[<i>d</i>]naphtho[1,2-<i>b</i>]pyran-6-one
Authors of publication	Robinson, P. D.; Hua, D. H.; Roche, D.; Saha, S.
Journal of publication	Acta Crystallographica Section C
Year of publication	1991
Journal volume	47
Journal issue	11
Pages of publication	2490 - 2492
a	11.6 ± 0.01 Å
b	20.44 ± 0.02 Å
c	7.657 ± 0.006 Å
α	91.19 ± 0.08°
β	95.53 ± 0.08°
γ	89.55 ± 0.07°
Cell volume	1807 ± 3 Å³
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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