Crystallography Open Database

Information card for entry 7718556

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Coordinates	7718556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 Cu2 F6 N6 O8 S2
Calculated formula	C38 H34 Cu2 F6 N6 O8 S2
Title of publication	A bioinspired model for copper monooxygenase: direct aromatic hydroxylation using O<sub>2</sub>.
Authors of publication	Ramasubramanian, Ramamoorthy; Anandababu, Karunanithi; Kumar, Mukesh; Mayilmurugan, Ramasamy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	22
Pages of publication	8788 - 8799
a	16.3112 ± 0.0004 Å
b	17.5527 ± 0.0005 Å
c	14.4401 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4134.28 ± 0.18 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1966
Weighted residual factors for all reflections included in the refinement	0.2408
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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