Crystallography Open Database

Information card for entry 2007459

2007458 << 2007459 >> 2007460

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Coordinates	2007459.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	cis-3,4-dihydro-2-ethoxy-4-[2-furyl]-2H,5H-pyrano[3,2-c][1]benzopyran-5-one
Formula	C18 H16 O5
Calculated formula	C18 H16 O5
SMILES	O1[C@@H](C[C@@H](c2c(=O)oc3ccccc3c12)c1occc1)OCC.O1[C@H](C[C@H](c2c(=O)oc3ccccc3c12)c1occc1)OCC
Title of publication	Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives
Authors of publication	Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	7
Pages of publication	1042 - 1047
a	11.987 ± 0.002 Å
b	10.028 ± 0.002 Å
c	13.413 ± 0.002 Å
α	90°
β	107.551 ± 0.008°
γ	90°
Cell volume	1537.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.036
Weighted residual factors for all reflections	0.101
Weighted residual factors for significantly intense reflections	0.094
Goodness-of-fit parameter for all reflections	0.962
Goodness-of-fit parameter for significantly intense reflections	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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