Crystallography Open Database

Information card for entry 2005562

2005561 << 2005562 >> 2005563

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Coordinates	2005562.cif
Original IUCr paper	HTML

Structure parameters

Formula	C18 H27 N O4
Calculated formula	C18 H27 N O4
SMILES	CCOC(=O)C1=C(CCCC=C1C(=O)OCC)N1CCCCC1
Title of publication	Diethyl 3-Piperidino-2,7-cycloheptadiene-1,2-dicarboxylate
Authors of publication	Özbey, S.; Temel, A.; Tunouglu, N.; Uludaug, N.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	11
Pages of publication	2890 - 2891
a	12.274 ± 0.001 Å
b	8.086 ± 0.001 Å
c	19.097 ± 0.002 Å
α	90°
β	108.24 ± 0.01°
γ	90°
Cell volume	1800.1 ± 0.3 Å³
Cell temperature	295 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0433
Goodness-of-fit parameter for significantly intense reflections	1.22
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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