Crystallography Open Database

Information card for entry 7063505

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Coordinates	7063505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H42 N4 O2
Calculated formula	C58 H42 N4 O2
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
a	25.4032 ± 0.0011 Å
b	10.7091 ± 0.0005 Å
c	36.4314 ± 0.0015 Å
α	90°
β	109.79 ± 0.002°
γ	90°
Cell volume	9325.7 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.1373
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.1922
Weighted residual factors for all reflections included in the refinement	0.2726
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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