Crystallography Open Database

Information card for entry 2204589

2204588 << 2204589 >> 2204590

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2204589.hkl
Original IUCr paper	HTML

Structure parameters

Common name	tlatlancuayin
Chemical name	2',5-dimethoxy-6,7-methylenedioxyisoflavone
Formula	C18 H14 O6
Calculated formula	C18 H14 O6
SMILES	o1cc(c(=O)c2c(OC)c3OCOc3cc12)c1c(OC)cccc1
Title of publication	Tlatlancuayin
Authors of publication	Vašinová, Marie; Marek, Jaromír; Vančo, Ján; Suchý, Václav
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	11
Pages of publication	o2019 - o2021
a	11.262 ± 0.003 Å
b	7.6872 ± 0.0019 Å
c	16.54 ± 0.004 Å
α	90°
β	93.26 ± 0.02°
γ	90°
Cell volume	1429.6 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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