Crystallography Open Database

Information card for entry 2216921

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Structure parameters

Chemical name	6,6'-Oxydichroman
Formula	C18 H18 O3
Calculated formula	C18 H18 O3
SMILES	C1COc2c(C1)cc(cc2)Oc1ccc2c(c1)CCCO2
Title of publication	6,6'-Oxydichroman
Authors of publication	Wang, Meng; Ye, Yong-Hao
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	1
Pages of publication	o308 - o308
a	17.515 ± 0.004 Å
b	29.66 ± 0.006 Å
c	5.768 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2996.4 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0752
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.2126
Weighted residual factors for all reflections included in the refinement	0.2163
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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