Crystallography Open Database

Information card for entry 7133051

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Coordinates	7133051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H7 B F15 N
Calculated formula	C27 H7 B F15 N
Title of publication	Hetero Diels-Alder reactions of isolable <i>N</i>-borylenamines.
Authors of publication	Liang, Pei; Wei, Junhui; Wei, Yongliang; Wang, Xue; Liu, Fei; Wang, Tongdao
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	46
Pages of publication	5964 - 5967
a	11.505 ± 0.005 Å
b	12.536 ± 0.005 Å
c	17.074 ± 0.007 Å
α	77.759 ± 0.013°
β	87.576 ± 0.013°
γ	77.117 ± 0.012°
Cell volume	2345.9 ± 1.7 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0953
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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