Crystallography Open Database

Information card for entry 7062569

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Coordinates	7062569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H60 N8 O4
Calculated formula	C62 H60 N8 O4
Title of publication	Recognition of naphthoflavones by calix[4]pyrrole[2]phenanthrene
Authors of publication	Zeng, Fei; Tang, Lin-Li; Ding, Man-Hua
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	30
Pages of publication	14118 - 14122
a	15.241 ± 0.01 Å
b	8.971 ± 0.006 Å
c	19.952 ± 0.013 Å
α	90°
β	98.341 ± 0.009°
γ	90°
Cell volume	2699 ± 3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2012
Residual factor for significantly intense reflections	0.0895
Weighted residual factors for significantly intense reflections	0.1833
Weighted residual factors for all reflections included in the refinement	0.2389
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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