Crystallography Open Database

Information card for entry 7251511

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Coordinates	7251511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H34 N6 O7
Calculated formula	C43 H34 N6 O7
Title of publication	Supramolecular interactions and aromaticity in phenazine–hydroxybenzoic acid co-crystals
Authors of publication	Wzgarda-Raj, Kinga
Journal of publication	CrystEngComm
Year of publication	2026
a	9.6784 ± 0.0003 Å
b	10.806 ± 0.0003 Å
c	17.5157 ± 0.0005 Å
α	77.538 ± 0.002°
β	78.893 ± 0.002°
γ	78.392 ± 0.002°
Cell volume	1730.68 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0855
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.2015
Weighted residual factors for all reflections included in the refinement	0.2078
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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