Crystallography Open Database

Information card for entry 2008314

2008313 << 2008314 >> 2008315

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Structure parameters

Chemical name	8-Hydroxy-1,2,3-trimethoxybenz[a]anthracene-7,12-dione
Formula	C21 H16 O6
Calculated formula	C21 H16 O6
SMILES	O(c1c(OC)c(OC)cc2ccc3C(=O)c4c(O)cccc4C(=O)c3c12)C
Title of publication	A new strained angularly fused ring system: 8-hydroxy-1,2,3-trimethoxybenz[<i>a</i>]anthracene-7,12-dione
Authors of publication	Ilia A. Guzei; Alex Melekhov; George A. Kraus
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	4
Pages of publication	620 - 622
a	7.5766 ± 0.0006 Å
b	9.6207 ± 0.0007 Å
c	11.2537 ± 0.0009 Å
α	89.227 ± 0.001°
β	85.764 ± 0.001°
γ	82.531 ± 0.001°
Cell volume	811.12 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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 all reflections	0.063
Residual factor for significantly intense reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.163
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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