Crystallography Open Database

Information card for entry 2011269

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Structure parameters

Chemical name	(1R,2R,8R,11R)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-ol
Formula	C16 H28 O3
Calculated formula	C16 H28 O3
Title of publication	(1<i>R</i>,8<i>R</i>,11<i>R</i>)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-one and (1<i>R</i>,2<i>R</i>,8<i>R</i>,11<i>R</i>)-3,3,11-trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-ol
Authors of publication	Yoshinobu Inouye
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	8
Pages of publication	e361 - e362
a	10.368 ± 0.003 Å
b	16.3349 ± 0.0014 Å
c	10.211 ± 0.003 Å
α	90°
β	116.614 ± 0.012°
γ	90°
Cell volume	1546.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.045
Weighted residual factors for all reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections	1.046
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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