Crystallography Open Database

Information card for entry 1555729

Preview

Coordinates	1555729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H25 N O4
Calculated formula	C17 H25 N O4
SMILES	O=C1N(C(=O)C/C1=C\CC(=O)OCCCC)C1CCCCC1
Title of publication	Ruthenium-Catalyzed Cross-Coupling of Maleimides with Alkenes.
Authors of publication	Morita, Tomohiro; Akita, Mitsutoshi; Satoh, Tetsuya; Kakiuchi, Fumitoshi; Miura, Masahiro
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	18
Pages of publication	4598 - 4601
a	11.69 ± 0.04 Å
b	5.133 ± 0.016 Å
c	14.52 ± 0.05 Å
α	90°
β	109.05 ± 0.03°
γ	90°
Cell volume	824 ± 5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2073
Residual factor for significantly intense reflections	0.0892
Weighted residual factors for significantly intense reflections	0.1672
Weighted residual factors for all reflections included in the refinement	0.2218
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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