Crystallography Open Database

Information card for entry 2200620

2200619 << 2200620 >> 2200621

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Coordinates	2200620.cif
Original IUCr paper	HTML

Structure parameters

Formula	C32 H30 B N O4
Calculated formula	C32 H28.3 B N O4
Title of publication	An OBONC five-membered heterocycle
Authors of publication	Wolfgang Kliegel; Jörg Metge; Brian O. Patrick; Steven J. Rettig; James Trotter
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	11
Pages of publication	o1120 - o1122
a	11.5792 ± 0.0006 Å
b	13.0972 ± 0.0008 Å
c	9.0779 ± 0.0005 Å
α	96.78 ± 0.005°
β	93.245 ± 0.004°
γ	82.833 ± 0.004°
Cell volume	1355.18 ± 0.13 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 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	0.069
Residual factor for significantly intense reflections	0.04
Weighted residual factors for all reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.038
Goodness-of-fit parameter for all reflections included in the refinement	0.966
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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