Crystallography Open Database

Information card for entry 7057103

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Coordinates	7057103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.7 H46.4 Cl1.4 Ga N4 O5
Calculated formula	C52 H45 Ga N4 O5
Title of publication	Moving corrole towards a red-record: synthesis of β-acrolein Ga and Cu corroles using the Vilsmeier reaction
Authors of publication	Savoldelli, A.; Nardis, S.; Genovese, D.; Prodi, L.; Fronczek, F. R.; Smith, K. M.; Paolesse, R.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	10
Pages of publication	8200
a	36.7663 ± 0.0009 Å
b	17.2278 ± 0.0004 Å
c	14.6878 ± 0.0003 Å
α	90°
β	101.431 ± 0.001°
γ	90°
Cell volume	9118.7 ± 0.4 Å³
Cell temperature	90 ± 0.5 K
Ambient diffraction temperature	90 ± 0.5 K
Number of distinct elements	6
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	0.1004
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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