Crystallography Open Database

Information card for entry 7100976

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Coordinates	7100976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H115 N7
Calculated formula	C81 H115 N7
Title of publication	A remarkable side-product from the synthesis of an octaalkyl-phthalocyanine: formation of a tetrabenzotriazaporphyrin
Authors of publication	Michael J. Cook; Andrew Cammidge; David L. Hughes; Fabien Nekelson; Muhibur Rahman
Journal of publication	Chemical Communications
Year of publication	2005
a	9.22 ± 0.015 Å
b	9.633 ± 0.011 Å
c	19.87 ± 0.04 Å
α	80.13 ± 0.05°
β	91.14 ± 0.08°
γ	84.48 ± 0.06°
Cell volume	1729 ± 5 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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