Crystallography Open Database

Information card for entry 7703502

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Coordinates	7703502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H60 N4 O4
Calculated formula	C48 H60 N4 O4
Title of publication	Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.
Authors of publication	Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	10
Pages of publication	3112 - 3119
a	9.37 ± 0.006 Å
b	9.873 ± 0.006 Å
c	12.853 ± 0.008 Å
α	101.209 ± 0.01°
β	110.101 ± 0.01°
γ	100.626 ± 0.01°
Cell volume	1053.8 ± 1.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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 all reflections	0.1112
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.1754
Weighted residual factors for all reflections included in the refinement	0.2064
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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