Crystallography Open Database

Information card for entry 2005964

2005963 << 2005964 >> 2005965

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Coordinates	2005964.cif
Original IUCr paper	HTML

Structure parameters

Formula	C18 H27 N O5
Calculated formula	C18 H27 N O5
SMILES	CCOC(=O)C1=C(CCCCC=C1C(=O)OCC)N1CCOCC1
Title of publication	Diethyl 3-(1-Morpholinyl)-2,8-cyclooctadiene-1,2-dicarboxylate
Authors of publication	Özbey, S.; Tunouǧlu, N.
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	3
Pages of publication	380 - 381
a	8.6903 ± 0.0012 Å
b	10.3999 ± 0.0014 Å
c	11.9025 ± 0.0013 Å
α	68.481 ± 0.001°
β	71.813 ± 0.001°
γ	64.844 ± 0.001°
Cell volume	890.1 ± 0.2 Å³
Cell temperature	295 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0419
Goodness-of-fit parameter for significantly intense reflections	1.26
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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