Crystallography Open Database

Information card for entry 4020055

4020054 << 4020055 >> 4020056

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Coordinates	4020055.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H22 O2
Calculated formula	C14 H22 O2
Authors of publication	Jamie B. Scaglione; Nigam P. Rath; Douglas F. Covey
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	1089 - 1092
a	9.555 ± 0.0002 Å
b	6.4178 ± 0.0001 Å
c	10.1281 ± 0.0002 Å
α	90°
β	104.113 ± 0.001°
γ	90°
Cell volume	602.33 ± 0.02 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0409
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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