Crystallography Open Database

Information card for entry 2206666

2206665 << 2206666 >> 2206667

Preview

Structure parameters

Common name	5-hydroxy-3,7-dimethoxyflavone
Chemical name	5-Hydroxy-3,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
Formula	C17 H14 O5
Calculated formula	C17 H14 O5
SMILES	o1c(c2ccccc2)c(OC)c(=O)c2c(O)cc(OC)cc12
Title of publication	5-Hydroxy-3,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one
Authors of publication	Hoong-Kun Fun; Abdul Razak Ibrahim; Nawong Boonnak; Surat Laphookhieo; Suchada Chantrapromma
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	9
Pages of publication	o3086 - o3088
a	20.0802 ± 0.0003 Å
b	7.136 ± 0.0001 Å
c	20.7415 ± 0.0003 Å
α	90°
β	114.399 ± 0.001°
γ	90°
Cell volume	2706.66 ± 0.07 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	293 ± 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	0.0567
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.1421
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.