Crystallography Open Database

Information card for entry 7062570

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Coordinates	7062570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H86 N4 O11
Calculated formula	C111 H86 N4 O11
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	16.299 ± 0.004 Å
b	16.315 ± 0.004 Å
c	18.435 ± 0.005 Å
α	102.339 ± 0.003°
β	102.319 ± 0.003°
γ	109.884 ± 0.003°
Cell volume	4279.6 ± 1.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 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	0.1978
Residual factor for significantly intense reflections	0.0916
Weighted residual factors for significantly intense reflections	0.2419
Weighted residual factors for all reflections included in the refinement	0.3106
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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