Crystallography Open Database

Information card for entry 7101762

Preview

Coordinates	7101762.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compound 6
Formula	C36.5 H20 Cl N4 O5
Calculated formula	C36.5 H20 Cl N4 O5
Title of publication	Oxacalixarenes and oxacyclophanes containing 1,8-naphthyridines: a new class of molecular tweezers with concave-surface functionality.
Authors of publication	Katz, Jeffrey L; Geller, Bram J; Foster, Peter D
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2007
Journal issue	10
Pages of publication	1026 - 1028
a	9.6887 ± 0.0008 Å
b	13.1957 ± 0.001 Å
c	13.4844 ± 0.001 Å
α	100.388 ± 0.001°
β	107.125 ± 0.001°
γ	111.11 ± 0.001°
Cell volume	1455.5 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1457
Weighted residual factors for all reflections included in the refinement	0.1533
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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