Crystallography Open Database

Information card for entry 4107760

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Coordinates	4107760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H72 Cl4 N8 O8
Calculated formula	C40 H72 Cl4 N8 O8
Title of publication	Supramolecular Control for the Modular Synthesis of Pseudopeptidic Macrocycles through an Anion-Templated Reaction
Authors of publication	Ignacio Alfonso; Michael Bolte; Miriam Bru; M. Isabel Burguete; Santiago V. Luis; Jenifer Rubio
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	6137 - 6144
a	15.521 ± 0.003 Å
b	26.412 ± 0.005 Å
c	6.9655 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2855.4 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.2118
Residual factor for significantly intense reflections	0.1004
Weighted residual factors for significantly intense reflections	0.2571
Weighted residual factors for all reflections included in the refinement	0.316
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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