Crystallography Open Database

Information card for entry 4037396

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Coordinates	4037396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H61 Cu N5 O4
Calculated formula	C52 H61 Cu N5 O4
Title of publication	Metal-Free Synthesis of meso-Aminoporphyrins through Reduction of meso-Azidoporphyrins Generated in Situ by Nucleophilic Substitution Reactions of meso-Bromoporphyrins.
Authors of publication	Yamashita, Ken-Ichi; Kataoka, Kazuyuki; Takeuchi, Shouichi; Sugiura, Ken-Ichi
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	22
Pages of publication	11176 - 11184
a	6.3352 ± 0.0004 Å
b	20.2924 ± 0.0012 Å
c	17.032 ± 0.001 Å
α	90°
β	92.345 ± 0.001°
γ	90°
Cell volume	2187.7 ± 0.2 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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