Crystallography Open Database

Information card for entry 2005371

2005370 << 2005371 >> 2005372

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Coordinates	2005371.cif
Original IUCr paper	HTML

Structure parameters

Formula	C18 H24 O3
Calculated formula	C18 H24 O3
SMILES	C1CC2(C1)C1(CO1)C1(CCC1)C1(C3(C42CO4)CCC3)CO1
Title of publication	A Fully Cyclo-Substituted Cyclohexane
Authors of publication	Schormann, N.; Egert, E.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	9
Pages of publication	2254 - 2256
a	13.734 ± 0.002 Å
b	8.281 ± 0.001 Å
c	6.53 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	742.67 ± 0.18 Å³
Cell temperature	293 K
Number of distinct elements	3
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.056
Goodness-of-fit parameter for significantly intense reflections	1.21
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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