Crystallography Open Database

Information card for entry 7109804

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Coordinates	7109804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H43 B2 F4 N3
Calculated formula	C36 H43 B2 F4 N3
Title of publication	Synthesis and properties of boron complexes of [14]triphyrins(2.1.1)
Authors of publication	Daiki Kuzuhara; ZhaoLi Xue; Shigeki Mori; Tetsuo Okujima; Hidemitsu Uno; Naoki Aratani; Hiroko Yamada
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	8955
a	9.3059 ± 0.0002 Å
b	24.7965 ± 0.0005 Å
c	14.9207 ± 0.0003 Å
α	90°
β	109.972 ± 0.001°
γ	90°
Cell volume	3235.94 ± 0.12 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0687
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1238
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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