Crystallography Open Database

Information card for entry 2002101

2002100 << 2002101 >> 2002102

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Coordinates	2002101.cif
Original IUCr paper	HTML

Structure parameters

Formula	C22 H32 O8
Calculated formula	C22 H32 O8
SMILES	O=C(OC)C1(CC=CCC(CCCCCC=CC1)(C(=O)OC)C(=O)OC)C(=O)OC
Title of publication	Structure of a cyclotetradecadiene
Authors of publication	Erickson, M. S.; Schilling, P. J.; Fronczek, F. R.; Watkins, S. F.
Journal of publication	Acta Crystallographica Section C
Year of publication	1993
Journal volume	49
Journal issue	1
Pages of publication	165 - 167
a	22.669 ± 0.006 Å
b	15.663 ± 0.006 Å
c	12.995 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4614 ± 3 Å³
Cell temperature	294 K
Number of distinct elements	3
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.073
Goodness-of-fit parameter for significantly intense reflections	2.225
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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