Crystallography Open Database

Information card for entry 2212912

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Structure parameters

Chemical name	Diethyl 2-[morpholin-4-yl(phenyl)methyl]malonate
Formula	C18 H25 N O5
Calculated formula	C18 H25 N O5
SMILES	O1CCN(C(c2ccccc2)C(C(=O)OCC)C(=O)OCC)CC1
Title of publication	Diethyl 2-[(morpholin-4-yl)(phenyl)methyl]malonate
Authors of publication	Mehmet Akkurt; Sema Öztürk Yıldırım; Oumaima T. Benjelloun; Najib Ben Larbi; Taibi Ben Hadda; Orhan Büyükgüngör
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	4
Pages of publication	o1656 - o1657
a	9.1421 ± 0.0006 Å
b	11.5978 ± 0.0007 Å
c	17.1379 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1817.1 ± 0.2 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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