Crystallography Open Database

Information card for entry 7215612

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Coordinates	7215612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H72 Cl4 N8 O8
Calculated formula	C40 H72 Cl4 N8 O8
Title of publication	Crystal structures of the HCl salts of pseudopeptidic macrocycles display "knobs into holes" hydrophobic interactions between aliphatic side chains
Authors of publication	Alfonso, Ignacio; Bolte, Michael; Bru, Miriam; Burguete, M. Isabel; Luis, Santiago V.
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	5
Pages of publication	735 - 738
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
Duplicate of	7200762
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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