Table 1.

Selected crystallographic data and structure refinement parameters for 2, 3, and 5–8

Compd No.	2	3	5	6	7	8
Chemical formula	C23H22BF7N2	C41H40BF7N4	C17H7BCl2F8N2	C21H17BF8N2	C25H25BF8N2	C43H29BF20N2
Formula Mass [g mol−1]	470.24	732.58	472.96	460.18	516.28	964.49
Crystal system	monoclinic	monoclinic	monoclinic	orthorhombic	monoclinic	orthorhombic
Space group	P21/c	C2/c	P21/c	Pca21	P21/n	Pna21
a [Å]	8.7452(7)	16.947(5)	23.127(3)	25.222(4)	8.915(3)	28.715(4)
b [Å]	11.6694(8)	27.710(6)	9.3301(10)	11.8719(16)	11.515(4)	17.658(3)
c [Å]	22.5946(14)	7.8970(19)	17.4917(18)	6.9173(12)	24.369(9)	8.6785(12)
α [°]	90.00	90.00	90.00	90.00	90.00	90
β [°]	95.630(4)	94.460(15)	91.269(7)	90.00	96.699(6)	90
γ [°]	90.00	90.00	90.00	90.00	90.00	90
Unit cell volume [Å3]	2294.7(3)	3697.3(16)	3773.4(7)	2071.3(6)	2484.5(16)	4400.5(11)
Temperature [K]	296(2)	296(2)	296(2)	296(2)	296(2)	296(2)
No. of formula units per unit cell, Z	4	4	8	4	4	4
Radiation type	Mo-Kα	Mo-Kα	Mo-Kα	Mo-Kα	Mo-Kα	Mo-Kα
Absorption coefficient [μ mm−1]	0.119	0.102	0.427	0.137	0.123	0.144
No. of reflections measured	4536	14 273	42 910	21 906	20 785	54 364
No. of independent reflections	4536	4518	9330	5011	6166	10 722
Rint	0.0000	0.1155	0.0995	0.1394	0.0552	0.1840
Final R1 values (I>2σ(I))	0.0739	0.0544	0.0729	0.0840	0.0688	0.0690
Final wR(F2) values (I>2σ(I))	0.1832	0.1027	0.1969	0.2068	0.2026	0.1257
Final R1 values (all data)	0.1620	0.2418	0.1673	0.1765	0.1397	0.3300
Final wR(F2) values (all data)	0.2138	0.1290	0.2257	0.2390	0.2327	0.1672
Goodness of fit on F2	1.073	0.826	0.795	0.815	0.950	0.628
CCDC number	89 3402	89 3400	89 3403	89 3401	89 3399	90 5368