Crystallography Open Database

Information card for entry 4037398

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Coordinates	4037398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H68 N6 O4
Calculated formula	C55 H68 N6 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	21.954 ± 0.002 Å
b	10.2145 ± 0.0011 Å
c	46.004 ± 0.005 Å
α	90°
β	101.588 ± 0.002°
γ	90°
Cell volume	10106.1 ± 1.8 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2828
Residual factor for significantly intense reflections	0.1173
Weighted residual factors for significantly intense reflections	0.2518
Weighted residual factors for all reflections included in the refinement	0.3371
Goodness-of-fit parameter for all reflections included in the refinement	0.975
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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