Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801019018/om6068sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536801019018/om6068Isup2.hkl |
CCDC reference: 177212
Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 1997); program(s) used to refine structure: SHELXTL (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2001).
C12H18N4O8 | F(000) = 1456 |
Mr = 346.30 | Dx = 1.509 Mg m−3 |
Monoclinic, P21/c | Cu Kα radiation, λ = 1.54178 Å |
a = 17.9560 (2) Å | Cell parameters from 7327 reflections |
b = 9.7885 (1) Å | θ = 4.7–57.1° |
c = 18.2898 (1) Å | µ = 1.11 mm−1 |
β = 108.507 (1)° | T = 293 K |
V = 3048.41 (5) Å3 | Irregular, colorless |
Z = 8 | 0.24 × 0.21 × 0.10 mm |
Bruker SMART 6000 diffractometer | 5243 independent reflections |
Radiation source: normal-focus sealed tube | 4537 reflections with I > 2σ(I) |
Gobel mirrors monochromator | Rint = 0.037 |
φ and ω scans | θmax = 67.2°, θmin = 2.6° |
Absorption correction: multi-scan (SADABS; Bruker, 2001) | h = −20→21 |
Tmin = 0.670, Tmax = 0.864 | k = −11→10 |
21447 measured reflections | l = −21→20 |
Refinement on F2 | Secondary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Hydrogen site location: calc |
R[F2 > 2σ(F2)] = 0.040 | H-atom parameters constrained |
wR(F2) = 0.113 | w = 1/[σ2(Fo2) + (0.0766P)2 + 0.2099P] where P = (Fo2 + 2Fc2)/3 |
S = 1.05 | (Δ/σ)max = 0.031 |
5243 reflections | Δρmax = 0.24 e Å−3 |
438 parameters | Δρmin = −0.26 e Å−3 |
0 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.0109 (5) |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
N1 | 0.42743 (7) | −0.11060 (11) | 0.19079 (6) | 0.0386 (3) | |
O1 | 0.41983 (8) | −0.33891 (11) | 0.19762 (6) | 0.0576 (3) | |
C1A | 0.42568 (9) | −0.23866 (15) | 0.15981 (8) | 0.0439 (3) | |
C1B | 0.43215 (11) | −0.25336 (18) | 0.08050 (10) | 0.0580 (4) | |
H1BA | 0.4216 | −0.3463 | 0.0637 | 0.087* | |
H1BB | 0.4842 | −0.2290 | 0.0814 | 0.087* | |
H1BC | 0.3948 | −0.1942 | 0.0456 | 0.087* | |
C2 | 0.44573 (8) | 0.01345 (15) | 0.15469 (8) | 0.0422 (3) | |
H2A | 0.4802 | −0.0119 | 0.1254 | 0.051* | |
H2B | 0.4750 | 0.0746 | 0.1954 | 0.051* | |
C3 | 0.37642 (9) | 0.09305 (14) | 0.10122 (7) | 0.0425 (3) | |
O3B | 0.34908 (6) | 0.03889 (11) | 0.02496 (5) | 0.0510 (3) | |
O3A | 0.40782 (7) | 0.22463 (10) | 0.09464 (6) | 0.0528 (3) | |
C3B | 0.38734 (11) | 0.1139 (2) | −0.01965 (9) | 0.0603 (4) | |
H3BA | 0.3563 | 0.1149 | −0.0738 | 0.072* | |
H3BB | 0.4389 | 0.0767 | −0.0141 | 0.072* | |
C3A | 0.39297 (13) | 0.2524 (2) | 0.01490 (10) | 0.0673 (5) | |
H3AA | 0.4356 | 0.3042 | 0.0066 | 0.081* | |
H3AB | 0.3443 | 0.3026 | −0.0064 | 0.081* | |
C4 | 0.30342 (9) | 0.10156 (16) | 0.12752 (8) | 0.0468 (3) | |
H4A | 0.2756 | 0.1853 | 0.1074 | 0.056* | |
H4B | 0.2689 | 0.0260 | 0.1047 | 0.056* | |
N5 | 0.31876 (7) | 0.09854 (12) | 0.21094 (6) | 0.0412 (3) | |
O5 | 0.34809 (9) | 0.19555 (13) | 0.32704 (7) | 0.0683 (4) | |
C5A | 0.33779 (9) | 0.20969 (15) | 0.25836 (9) | 0.0487 (3) | |
C5B | 0.34548 (12) | 0.34711 (17) | 0.22506 (11) | 0.0617 (4) | |
H5BA | 0.3681 | 0.4106 | 0.2661 | 0.093* | |
H5BB | 0.2945 | 0.3789 | 0.1945 | 0.093* | |
H5BC | 0.3787 | 0.3397 | 0.1932 | 0.093* | |
C6 | 0.29502 (8) | −0.02417 (15) | 0.24289 (8) | 0.0437 (3) | |
H6A | 0.2647 | −0.0816 | 0.2007 | 0.052* | |
H6B | 0.2610 | 0.0021 | 0.2724 | 0.052* | |
C7 | 0.36321 (8) | −0.10753 (13) | 0.29462 (7) | 0.0393 (3) | |
O7C | 0.32586 (7) | −0.07127 (13) | 0.40496 (6) | 0.0625 (3) | |
N7B | 0.38111 (8) | −0.06559 (12) | 0.37977 (7) | 0.0458 (3) | |
O7D | 0.44718 (7) | −0.03346 (13) | 0.41615 (6) | 0.0606 (3) | |
N7A | 0.33605 (8) | −0.25678 (13) | 0.29879 (8) | 0.0518 (3) | |
O7A | 0.37928 (9) | −0.32760 (12) | 0.34934 (8) | 0.0704 (4) | |
O7B | 0.27470 (8) | −0.29340 (13) | 0.25285 (9) | 0.0760 (4) | |
C8 | 0.43890 (8) | −0.10393 (14) | 0.27372 (7) | 0.0394 (3) | |
H8A | 0.4670 | −0.0205 | 0.2941 | 0.047* | |
H8B | 0.4717 | −0.1801 | 0.2988 | 0.047* | |
N11 | 0.02805 (7) | 0.66909 (11) | 0.47725 (6) | 0.0423 (3) | |
O11 | −0.08978 (8) | 0.70490 (12) | 0.49381 (8) | 0.0630 (3) | |
C11B | 0.01890 (13) | 0.8139 (2) | 0.58514 (10) | 0.0712 (5) | |
H11A | −0.0207 | 0.8652 | 0.5982 | 0.107* | |
H11B | 0.0552 | 0.8755 | 0.5736 | 0.107* | |
H11C | 0.0465 | 0.7570 | 0.6279 | 0.107* | |
C11A | −0.01913 (11) | 0.72617 (15) | 0.51605 (9) | 0.0499 (4) | |
C12 | 0.11346 (9) | 0.66485 (14) | 0.50892 (8) | 0.0456 (3) | |
H12A | 0.1306 | 0.5741 | 0.5002 | 0.055* | |
H12B | 0.1279 | 0.6777 | 0.5643 | 0.055* | |
C13 | 0.15929 (8) | 0.76938 (14) | 0.47715 (8) | 0.0440 (3) | |
O13A | 0.12077 (6) | 0.89664 (10) | 0.46937 (6) | 0.0495 (3) | |
O13B | 0.23504 (7) | 0.78607 (11) | 0.53288 (7) | 0.0588 (3) | |
C13A | 0.18095 (11) | 0.99748 (17) | 0.49819 (12) | 0.0662 (5) | |
H13A | 0.1609 | 1.0774 | 0.5171 | 0.079* | |
H13B | 0.2036 | 1.0252 | 0.4589 | 0.079* | |
C13B | 0.23923 (12) | 0.92232 (19) | 0.56220 (12) | 0.0717 (5) | |
H13C | 0.2915 | 0.9600 | 0.5727 | 0.086* | |
H13D | 0.2248 | 0.9252 | 0.6090 | 0.086* | |
C14 | 0.17408 (9) | 0.72573 (16) | 0.40271 (9) | 0.0506 (4) | |
H14A | 0.1837 | 0.8067 | 0.3764 | 0.061* | |
H14B | 0.2212 | 0.6701 | 0.4158 | 0.061* | |
O15 | 0.05763 (7) | 0.46438 (13) | 0.28149 (7) | 0.0643 (3) | |
N15 | 0.10951 (7) | 0.64889 (12) | 0.34989 (7) | 0.0435 (3) | |
C15A | 0.11566 (9) | 0.51892 (16) | 0.32618 (8) | 0.0495 (4) | |
C15B | 0.19200 (11) | 0.4438 (2) | 0.35666 (12) | 0.0704 (5) | |
H15A | 0.1863 | 0.3535 | 0.3351 | 0.106* | |
H15B | 0.2066 | 0.4379 | 0.4118 | 0.106* | |
H15C | 0.2320 | 0.4920 | 0.3426 | 0.106* | |
C16 | 0.03614 (8) | 0.72121 (15) | 0.31417 (8) | 0.0430 (3) | |
H16A | 0.0245 | 0.7197 | 0.2586 | 0.052* | |
H16B | 0.0424 | 0.8159 | 0.3307 | 0.052* | |
C17 | −0.03320 (8) | 0.65957 (13) | 0.33432 (8) | 0.0392 (3) | |
O17A | −0.06599 (7) | 0.87885 (11) | 0.36661 (7) | 0.0571 (3) | |
N17A | −0.09258 (8) | 0.77231 (12) | 0.33623 (7) | 0.0465 (3) | |
O17D | −0.09839 (8) | 0.60577 (14) | 0.20439 (7) | 0.0693 (4) | |
N17B | −0.08267 (7) | 0.56468 (13) | 0.27017 (7) | 0.0500 (3) | |
O17C | −0.10468 (7) | 0.45662 (12) | 0.28897 (8) | 0.0631 (3) | |
O17B | −0.16201 (7) | 0.74303 (14) | 0.31137 (8) | 0.0697 (4) | |
C18 | −0.01197 (8) | 0.58382 (13) | 0.41161 (8) | 0.0404 (3) | |
H18A | −0.0597 | 0.5482 | 0.4186 | 0.049* | |
H18B | 0.0214 | 0.5067 | 0.4100 | 0.049* |
U11 | U22 | U33 | U12 | U13 | U23 | |
N1 | 0.0380 (6) | 0.0409 (6) | 0.0370 (5) | −0.0005 (4) | 0.0121 (5) | 0.0018 (4) |
O1 | 0.0742 (8) | 0.0414 (6) | 0.0569 (6) | 0.0048 (5) | 0.0202 (6) | 0.0021 (5) |
C1A | 0.0373 (8) | 0.0459 (8) | 0.0474 (7) | 0.0043 (6) | 0.0119 (6) | −0.0019 (6) |
C1B | 0.0661 (11) | 0.0583 (9) | 0.0536 (9) | 0.0043 (7) | 0.0248 (8) | −0.0086 (7) |
C2 | 0.0393 (8) | 0.0474 (7) | 0.0403 (7) | −0.0065 (6) | 0.0133 (6) | 0.0020 (5) |
C3 | 0.0458 (8) | 0.0429 (7) | 0.0369 (6) | −0.0073 (6) | 0.0103 (6) | 0.0021 (5) |
O3B | 0.0578 (7) | 0.0563 (6) | 0.0354 (5) | −0.0103 (5) | 0.0098 (4) | 0.0021 (4) |
O3A | 0.0635 (7) | 0.0454 (6) | 0.0499 (6) | −0.0121 (5) | 0.0186 (5) | 0.0047 (4) |
C3B | 0.0607 (11) | 0.0791 (11) | 0.0433 (8) | −0.0100 (8) | 0.0195 (7) | 0.0055 (7) |
C3A | 0.0789 (13) | 0.0665 (10) | 0.0569 (9) | −0.0109 (9) | 0.0220 (9) | 0.0189 (8) |
C4 | 0.0400 (8) | 0.0562 (8) | 0.0401 (7) | −0.0002 (6) | 0.0069 (6) | 0.0084 (6) |
N5 | 0.0376 (6) | 0.0437 (6) | 0.0419 (6) | 0.0033 (5) | 0.0118 (5) | 0.0059 (4) |
O5 | 0.0990 (10) | 0.0547 (6) | 0.0493 (6) | 0.0065 (6) | 0.0206 (6) | −0.0028 (5) |
C5A | 0.0468 (9) | 0.0450 (8) | 0.0533 (8) | 0.0082 (6) | 0.0145 (7) | 0.0011 (6) |
C5B | 0.0710 (12) | 0.0441 (8) | 0.0734 (11) | 0.0041 (7) | 0.0275 (9) | 0.0030 (7) |
C6 | 0.0358 (7) | 0.0516 (8) | 0.0441 (7) | −0.0018 (6) | 0.0131 (6) | 0.0052 (6) |
C7 | 0.0432 (8) | 0.0370 (7) | 0.0378 (6) | −0.0038 (5) | 0.0129 (6) | 0.0008 (5) |
O7C | 0.0688 (8) | 0.0760 (7) | 0.0525 (6) | −0.0058 (6) | 0.0329 (6) | 0.0002 (5) |
N7B | 0.0522 (8) | 0.0460 (6) | 0.0396 (6) | 0.0013 (5) | 0.0151 (6) | 0.0032 (5) |
O7D | 0.0531 (7) | 0.0773 (8) | 0.0443 (6) | −0.0022 (6) | 0.0053 (5) | −0.0075 (5) |
N7A | 0.0605 (9) | 0.0432 (7) | 0.0576 (7) | −0.0086 (6) | 0.0272 (7) | −0.0009 (6) |
O7A | 0.0959 (10) | 0.0470 (6) | 0.0699 (8) | 0.0011 (6) | 0.0287 (7) | 0.0165 (5) |
O7B | 0.0644 (9) | 0.0586 (7) | 0.0986 (10) | −0.0231 (6) | 0.0168 (8) | −0.0108 (7) |
C8 | 0.0379 (7) | 0.0408 (7) | 0.0375 (6) | 0.0004 (5) | 0.0090 (5) | 0.0027 (5) |
N11 | 0.0485 (7) | 0.0400 (6) | 0.0404 (6) | 0.0034 (5) | 0.0168 (5) | 0.0030 (4) |
O11 | 0.0629 (8) | 0.0605 (7) | 0.0771 (8) | 0.0086 (6) | 0.0386 (6) | 0.0041 (6) |
C11B | 0.0974 (15) | 0.0648 (11) | 0.0590 (10) | 0.0101 (10) | 0.0357 (10) | −0.0085 (8) |
C11A | 0.0660 (11) | 0.0406 (7) | 0.0494 (8) | 0.0095 (7) | 0.0273 (7) | 0.0092 (6) |
C12 | 0.0499 (9) | 0.0430 (7) | 0.0392 (7) | 0.0057 (6) | 0.0074 (6) | 0.0008 (5) |
C13 | 0.0371 (8) | 0.0408 (7) | 0.0466 (7) | 0.0019 (5) | 0.0028 (6) | −0.0054 (5) |
O13A | 0.0441 (6) | 0.0394 (5) | 0.0592 (6) | 0.0030 (4) | 0.0084 (5) | −0.0014 (4) |
O13B | 0.0450 (7) | 0.0483 (6) | 0.0660 (7) | 0.0037 (5) | −0.0064 (5) | −0.0150 (5) |
C13A | 0.0583 (11) | 0.0424 (8) | 0.0919 (13) | −0.0030 (7) | 0.0156 (9) | −0.0131 (8) |
C13B | 0.0628 (12) | 0.0561 (10) | 0.0796 (12) | −0.0007 (8) | −0.0007 (9) | −0.0283 (9) |
C14 | 0.0385 (8) | 0.0554 (8) | 0.0579 (9) | −0.0096 (6) | 0.0152 (7) | −0.0129 (7) |
O15 | 0.0488 (7) | 0.0691 (7) | 0.0677 (7) | −0.0026 (5) | 0.0081 (5) | −0.0308 (6) |
N15 | 0.0368 (6) | 0.0503 (7) | 0.0434 (6) | −0.0050 (5) | 0.0126 (5) | −0.0081 (5) |
C15A | 0.0439 (9) | 0.0569 (9) | 0.0483 (8) | −0.0019 (6) | 0.0155 (7) | −0.0141 (6) |
C15B | 0.0520 (11) | 0.0720 (11) | 0.0791 (12) | 0.0095 (8) | 0.0095 (9) | −0.0253 (9) |
C16 | 0.0411 (8) | 0.0469 (7) | 0.0410 (7) | −0.0039 (6) | 0.0128 (6) | 0.0035 (5) |
C17 | 0.0359 (7) | 0.0377 (7) | 0.0423 (7) | −0.0005 (5) | 0.0101 (5) | 0.0001 (5) |
O17A | 0.0649 (7) | 0.0398 (6) | 0.0676 (7) | 0.0053 (5) | 0.0223 (6) | 0.0024 (5) |
N17A | 0.0439 (8) | 0.0436 (7) | 0.0509 (7) | 0.0053 (5) | 0.0133 (5) | 0.0083 (5) |
O17D | 0.0647 (8) | 0.0844 (9) | 0.0464 (6) | −0.0070 (6) | 0.0002 (5) | −0.0037 (6) |
N17B | 0.0389 (7) | 0.0533 (7) | 0.0537 (7) | −0.0026 (5) | 0.0088 (5) | −0.0066 (6) |
O17C | 0.0534 (7) | 0.0505 (7) | 0.0807 (8) | −0.0137 (5) | 0.0146 (6) | −0.0086 (5) |
O17B | 0.0379 (7) | 0.0726 (8) | 0.0935 (9) | 0.0065 (5) | 0.0136 (6) | −0.0012 (7) |
C18 | 0.0424 (8) | 0.0340 (6) | 0.0460 (7) | −0.0004 (5) | 0.0156 (6) | 0.0039 (5) |
N1—C1A | 1.3719 (18) | N11—C11A | 1.3840 (19) |
N1—C8 | 1.4661 (16) | N11—C18 | 1.4514 (18) |
N1—C2 | 1.4683 (17) | N11—C12 | 1.458 (2) |
O1—C1A | 1.2240 (18) | O11—C11A | 1.221 (2) |
C1A—C1B | 1.498 (2) | C11B—C11A | 1.501 (2) |
C2—C3 | 1.530 (2) | C12—C13 | 1.538 (2) |
C3—O3B | 1.4256 (16) | C13—O13A | 1.4100 (17) |
C3—O3A | 1.4263 (17) | C13—O13B | 1.4267 (18) |
C3—C4 | 1.535 (2) | C13—C14 | 1.529 (2) |
O3B—C3B | 1.4257 (18) | O13A—C13A | 1.435 (2) |
O3A—C3A | 1.4231 (19) | O13B—C13B | 1.431 (2) |
C3B—C3A | 1.486 (3) | C13A—C13B | 1.493 (3) |
C4—N5 | 1.4620 (17) | C14—N15 | 1.4603 (18) |
N5—C5A | 1.366 (2) | O15—C15A | 1.2239 (19) |
N5—C6 | 1.4575 (18) | N15—C15A | 1.360 (2) |
O5—C5A | 1.218 (2) | N15—C16 | 1.4550 (19) |
C5A—C5B | 1.501 (2) | C15A—C15B | 1.498 (2) |
C6—C7 | 1.5247 (19) | C16—C17 | 1.5302 (18) |
C7—C8 | 1.5246 (18) | C17—C18 | 1.5334 (18) |
C7—N7B | 1.5425 (17) | C17—N17B | 1.5385 (18) |
C7—N7A | 1.5497 (17) | C17—N17A | 1.5424 (18) |
O7C—N7B | 1.2206 (16) | O17A—N17A | 1.2067 (17) |
N7B—O7D | 1.2033 (17) | N17A—O17B | 1.2179 (18) |
N7A—O7B | 1.2086 (19) | O17D—N17B | 1.2137 (18) |
N7A—O7A | 1.2175 (19) | N17B—O17C | 1.2164 (18) |
C1A—N1—C8 | 116.44 (11) | C11A—N11—C18 | 115.68 (13) |
C1A—N1—C2 | 123.30 (11) | C11A—N11—C12 | 123.08 (12) |
C8—N1—C2 | 116.77 (10) | C18—N11—C12 | 119.64 (11) |
O1—C1A—N1 | 119.61 (13) | O11—C11A—N11 | 120.06 (15) |
O1—C1A—C1B | 121.12 (13) | O11—C11A—C11B | 121.67 (15) |
N1—C1A—C1B | 119.26 (13) | N11—C11A—C11B | 118.27 (16) |
N1—C2—C3 | 117.13 (11) | N11—C12—C13 | 116.90 (11) |
O3B—C3—O3A | 106.02 (10) | O13A—C13—O13B | 107.27 (11) |
O3B—C3—C2 | 113.19 (12) | O13A—C13—C14 | 112.05 (12) |
O3A—C3—C2 | 104.52 (11) | O13B—C13—C14 | 105.82 (12) |
O3B—C3—C4 | 105.29 (11) | O13A—C13—C12 | 108.77 (12) |
O3A—C3—C4 | 112.15 (12) | O13B—C13—C12 | 108.02 (12) |
C2—C3—C4 | 115.44 (11) | C14—C13—C12 | 114.56 (12) |
C3B—O3B—C3 | 106.84 (11) | C13—O13A—C13A | 106.41 (11) |
C3A—O3A—C3 | 107.95 (12) | C13—O13B—C13B | 107.42 (12) |
O3B—C3B—C3A | 101.91 (13) | O13A—C13A—C13B | 101.99 (14) |
O3A—C3A—C3B | 103.13 (13) | O13B—C13B—C13A | 103.00 (13) |
N5—C4—C3 | 115.41 (12) | N15—C14—C13 | 114.03 (12) |
C5A—N5—C6 | 116.62 (11) | C15A—N15—C16 | 117.75 (12) |
C5A—N5—C4 | 124.96 (12) | C15A—N15—C14 | 124.40 (13) |
C6—N5—C4 | 116.92 (11) | C16—N15—C14 | 117.52 (12) |
O5—C5A—N5 | 119.34 (14) | O15—C15A—N15 | 118.88 (14) |
O5—C5A—C5B | 121.12 (15) | O15—C15A—C15B | 121.25 (15) |
N5—C5A—C5B | 119.54 (13) | N15—C15A—C15B | 119.84 (14) |
N5—C6—C7 | 114.23 (11) | N15—C16—C17 | 112.96 (11) |
C6—C7—C8 | 115.86 (11) | C16—C17—C18 | 115.43 (11) |
C6—C7—N7B | 110.68 (11) | C16—C17—N17B | 111.79 (11) |
C8—C7—N7B | 109.29 (11) | C18—C17—N17B | 109.00 (11) |
C6—C7—N7A | 109.38 (11) | C16—C17—N17A | 110.15 (10) |
C8—C7—N7A | 110.71 (11) | C18—C17—N17A | 107.25 (10) |
N7B—C7—N7A | 99.74 (10) | N17B—C17—N17A | 102.32 (10) |
O7D—N7B—O7C | 125.46 (12) | O17A—N17A—O17B | 125.71 (13) |
O7D—N7B—C7 | 118.73 (11) | O17A—N17A—C17 | 116.97 (12) |
O7C—N7B—C7 | 115.79 (12) | O17B—N17A—C17 | 117.14 (12) |
O7B—N7A—O7A | 125.44 (14) | O17D—N17B—O17C | 125.04 (14) |
O7B—N7A—C7 | 118.49 (13) | O17D—N17B—C17 | 116.88 (13) |
O7A—N7A—C7 | 116.07 (13) | O17C—N17B—C17 | 118.04 (12) |
N1—C8—C7 | 114.51 (11) | N11—C18—C17 | 113.42 (11) |