Crystallography Open Database

Information card for entry 2205580

2205579 << 2205580 >> 2205581

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Structure parameters

Chemical name	6,8'-Dimethoxy-2,2'-spirobichroman
Formula	C19 H20 O4
Calculated formula	C19 H20 O4
SMILES	O1C2(Oc3c(CC2)cc(OC)cc3)CCc2c1c(OC)ccc2
Title of publication	6,8'-Dimethoxy-2,2'-spirobichroman
Authors of publication	George R. Clark; Christopher L. Flowers; Margaret A. Brimble
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	4
Pages of publication	o910 - o911
a	5.8149 ± 0.0005 Å
b	10.9359 ± 0.001 Å
c	12.9304 ± 0.0012 Å
α	73.684 ± 0.002°
β	86.383 ± 0.001°
γ	79.589 ± 0.002°
Cell volume	776.09 ± 0.12 Å³
Cell temperature	84 ± 1 K
Ambient diffraction temperature	84 ± 1 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	0.1301
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.146
Weighted residual factors for all reflections included in the refinement	0.1734
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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