Crystallography Open Database

Information card for entry 7063504

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Coordinates	7063504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H44 Cu N4 O4
Calculated formula	C60 H44 Cu N4 O4
Title of publication	β-Methoxyphenyl substituted porphyrins: synthesis, characterization and comprehensive spectral, structural, electrochemical and theoretical analysis
Authors of publication	Arif, Waseem; Kumar, Vipin; Chetti, Prabhakar; Kumar, Ravi
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	44
Pages of publication	18848 - 18864
a	13.2014 ± 0.0007 Å
b	13.3397 ± 0.0007 Å
c	14.8686 ± 0.0007 Å
α	65.629 ± 0.002°
β	76.969 ± 0.002°
γ	89.43 ± 0.002°
Cell volume	2313.5 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0579
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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