Crystallography Open Database

Information card for entry 7033571

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Coordinates	7033571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H52 F10 N8 O5
Calculated formula	C66 H52 F10 N8 O5
Title of publication	Towards dipyrrins: oxidation and metalation of acyclic and macrocyclic Schiff-base dipyrromethanes.
Authors of publication	Pankhurst, James R.; Cadenbach, Thomas; Betz, Daniel; Finn, Colin; Love, Jason B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	5
Pages of publication	2066 - 2070
a	13.5433 ± 0.0007 Å
b	14.8529 ± 0.0009 Å
c	17.1922 ± 0.0007 Å
α	107.163 ± 0.005°
β	98.36 ± 0.004°
γ	108.596 ± 0.005°
Cell volume	3020.3 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.1361
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.1949
Weighted residual factors for all reflections included in the refinement	0.2337
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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