Crystallography Open Database

Information card for entry 2217107

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Structure parameters

Chemical name	2,3:6,7-Bis(methylenedioxy)phenanthrene
Formula	C16 H10 O4
Calculated formula	C16 H10 O4
SMILES	O1c2c(OC1)cc1ccc3cc4OCOc4cc3c1c2
Title of publication	2,3:6,7-Bis(methylenedioxy)phenanthrene
Authors of publication	Yuan-Xing Wang; Chong-Bo Liu; Zhi-Jie Fang; Ming-Yong Xie; Xiao-Bo Hu
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	1
Pages of publication	o276 - o276
a	6.862 ± 0.002 Å
b	7.775 ± 0.002 Å
c	11.495 ± 0.003 Å
α	75.084 ± 0.003°
β	77.118 ± 0.003°
γ	86.46 ± 0.004°
Cell volume	577.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0635
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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