Crystallography Open Database

Information card for entry 7160031

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Coordinates	7160031.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2
Formula	C54 H65 N5 O4
Calculated formula	C54 H65 N5 O4
Title of publication	N-Confused strapped calix[4]pyrrole: the missing member of calix[4]pyrrole chemistry.
Authors of publication	Roy, Anik; Halder, Dibakar; Patra, Ashoke Kumar; Frontera, Antonio; Saha, Indrajit
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	41
Pages of publication	8249 - 8254
a	38.9398 ± 0.0015 Å
b	11.4985 ± 0.0004 Å
c	25.6469 ± 0.0011 Å
α	90°
β	124.788 ± 0.003°
γ	90°
Cell volume	9430.9 ± 0.7 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2529
Residual factor for significantly intense reflections	0.1171
Weighted residual factors for significantly intense reflections	0.2835
Weighted residual factors for all reflections included in the refinement	0.3499
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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