Crystallography Open Database

Information card for entry 7051779

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Coordinates	7051779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H24 N4 O12
Calculated formula	C38 H24 N4 O12
Title of publication	Inclusion of electrochemically active guests by novel oxacalixarene hosts
Authors of publication	Sobransingh, David; Dewal, Mahender B.; Hiller, Jacob; Smith, Mark D.; Shimizu, Linda S.
Journal of publication	New Journal of Chemistry
Year of publication	2008
Journal volume	32
Journal issue	1
Pages of publication	24
a	12.1115 ± 0.0004 Å
b	14.0678 ± 0.0004 Å
c	17.4915 ± 0.0005 Å
α	79.918 ± 0.001°
β	86.453 ± 0.001°
γ	74.77 ± 0.001°
Cell volume	2830.77 ± 0.15 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.053
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	0.911
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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