Crystallography Open Database

Information card for entry 4023497

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Coordinates	4023497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H72 N10 O21
Calculated formula	C36 H72 N10 O21
Title of publication	Anion and Carboxylic Acid Binding to Monotopic and Ditopic Amidopyridine Macrocycles
Authors of publication	Ivan V. Korendovych; Mimi Cho; Olga V. Makhlynets; Phillip L. Butler; Richard J. Staples; Elena V. Rybak-Akimova
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	4771 - 4782
a	10.248 ± 0.0011 Å
b	12.6169 ± 0.0015 Å
c	19.111 ± 0.002 Å
α	81.575 ± 0.003°
β	84.536 ± 0.003°
γ	77.962 ± 0.002°
Cell volume	2385.3 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.2221
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1441
Goodness-of-fit parameter for all reflections included in the refinement	0.734
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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