Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802008346/ci6119sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536802008346/ci6119Isup2.hkl |
CCDC reference: 189397
Data collection: CAD-4 Software (Enraf-Nonius, 1989); cell refinement: MolEN (Fair,1990); data reduction: MolEN; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ZORTEP97 (Zsolnai, 1997); software used to prepare material for publication: SHELXL97.
C27H20O6 | F(000) = 920 |
Mr = 440.43 | Dx = 1.420 Mg m−3 |
Monoclinic, P21/c | Cu Kα radiation, λ = 1.5418 Å |
Hall symbol: P 2ybc | Cell parameters from 25 reflections |
a = 10.647 (1) Å | θ = 2–25° |
b = 7.595 (1) Å | µ = 0.83 mm−1 |
c = 25.481 (2) Å | T = 293 K |
β = 90.298 (9)° | Needle, colourless |
V = 2060.4 (4) Å3 | 0.12 × 0.10 × 0.08 mm |
Z = 4 |
Enraf-Nonius-CAD-4 diffractometer | 2788 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.019 |
Graphite monochromator | θmax = 67.9°, θmin = 3.5° |
ω–2θ scans | h = 0→12 |
Absorption correction: ψ scan (North et al., 1968) | k = 0→9 |
Tmin = 0.840, Tmax = 0.941 | l = −30→27 |
3901 measured reflections | 2 standard reflections every 60 reflections |
3701 independent reflections | intensity decay: none |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.038 | H-atom parameters constrained |
wR(F2) = 0.106 | w = 1/[σ2(Fo2) + (0.0438P)2 + 0.6209P] where P = (Fo2 + 2Fc2)/3 |
S = 1.08 | (Δ/σ)max = 0.001 |
3701 reflections | Δρmax = 0.17 e Å−3 |
303 parameters | Δρmin = −0.17 e Å−3 |
0 restraints | Extinction correction: SHELXL97, Fc*=3DkFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.0031 (2) |
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 | ||
O1 | 0.25370 (11) | 0.56601 (17) | 0.18644 (5) | 0.0424 (3) | |
O2 | 0.14404 (12) | 0.70370 (19) | 0.24604 (5) | 0.0470 (3) | |
C2 | 0.14648 (16) | 0.6497 (2) | 0.20053 (7) | 0.0381 (4) | |
C3 | 0.04507 (15) | 0.6676 (2) | 0.16326 (7) | 0.0356 (4) | |
C4 | 0.05202 (15) | 0.5770 (2) | 0.11732 (7) | 0.0372 (4) | |
O4 | −0.04268 (11) | 0.56059 (19) | 0.08314 (5) | 0.0474 (4) | |
C5 | 0.19086 (18) | 0.4315 (3) | 0.05076 (7) | 0.0441 (5) | |
H5 | 0.1247 | 0.4262 | 0.0268 | 0.053* | |
C6 | 0.30806 (18) | 0.3715 (3) | 0.03609 (8) | 0.0460 (5) | |
C7 | 0.40534 (18) | 0.3804 (3) | 0.07307 (8) | 0.0491 (5) | |
H7 | 0.4851 | 0.3422 | 0.0636 | 0.059* | |
C8 | 0.38693 (17) | 0.4435 (3) | 0.12281 (8) | 0.0463 (5) | |
H8 | 0.4526 | 0.4459 | 0.1470 | 0.056* | |
C9 | 0.26927 (16) | 0.5032 (2) | 0.13621 (7) | 0.0385 (4) | |
C10 | 0.16983 (16) | 0.5002 (2) | 0.10094 (7) | 0.0382 (4) | |
O11 | −0.35261 (11) | 0.50676 (18) | 0.20802 (5) | 0.0453 (3) | |
O12 | −0.25925 (12) | 0.57219 (18) | 0.13440 (5) | 0.0467 (3) | |
C12 | −0.25585 (16) | 0.5854 (2) | 0.18219 (7) | 0.0379 (4) | |
C13 | −0.16123 (16) | 0.6777 (2) | 0.21156 (7) | 0.0358 (4) | |
C14 | −0.16003 (16) | 0.6633 (2) | 0.26488 (7) | 0.0361 (4) | |
O14 | −0.07071 (12) | 0.73057 (18) | 0.29610 (5) | 0.0449 (3) | |
C15 | −0.26107 (18) | 0.5445 (2) | 0.34626 (7) | 0.0412 (4) | |
H15 | −0.1975 | 0.5927 | 0.3669 | 0.049* | |
C16 | −0.35541 (19) | 0.4493 (3) | 0.36992 (8) | 0.0460 (5) | |
C17 | −0.45187 (19) | 0.3819 (3) | 0.33812 (8) | 0.0518 (5) | |
H17 | −0.5175 | 0.3205 | 0.3536 | 0.062* | |
C18 | −0.45187 (18) | 0.4044 (3) | 0.28474 (8) | 0.0512 (5) | |
H18 | −0.5164 | 0.3585 | 0.2642 | 0.061* | |
C19 | −0.35426 (17) | 0.4965 (3) | 0.26200 (7) | 0.0406 (4) | |
C20 | −0.25893 (16) | 0.5703 (2) | 0.29181 (7) | 0.0377 (4) | |
C21 | −0.06312 (15) | 0.7822 (2) | 0.18151 (7) | 0.0359 (4) | |
H21 | −0.0253 | 0.8593 | 0.2081 | 0.043* | |
C22 | −0.11686 (16) | 0.9097 (2) | 0.14047 (7) | 0.0383 (4) | |
C23 | −0.22815 (18) | 0.9967 (3) | 0.15104 (8) | 0.0455 (5) | |
H23 | −0.2727 | 0.9683 | 0.1812 | 0.055* | |
C24 | −0.2741 (2) | 1.1246 (3) | 0.11782 (9) | 0.0571 (6) | |
H24 | −0.3498 | 1.1799 | 0.1254 | 0.069* | |
C25 | −0.2091 (2) | 1.1712 (3) | 0.07345 (9) | 0.0617 (6) | |
H25 | −0.2401 | 1.2578 | 0.0510 | 0.074* | |
C26 | −0.0980 (2) | 1.0881 (3) | 0.06277 (9) | 0.0586 (6) | |
H26 | −0.0530 | 1.1191 | 0.0330 | 0.070* | |
C27 | −0.05175 (19) | 0.9586 (3) | 0.09583 (8) | 0.0468 (5) | |
H27 | 0.0239 | 0.9036 | 0.0880 | 0.056* | |
C28 | 0.3312 (2) | 0.3006 (3) | −0.01809 (8) | 0.0628 (6) | |
H281 | 0.2584 | 0.2369 | −0.0299 | 0.094* | |
H282 | 0.4024 | 0.2231 | −0.0173 | 0.094* | |
H283 | 0.3474 | 0.3964 | −0.0416 | 0.094* | |
C29 | −0.3559 (2) | 0.4170 (3) | 0.42803 (8) | 0.0618 (6) | |
H291 | −0.2826 | 0.4691 | 0.4436 | 0.093* | |
H292 | −0.3558 | 0.2925 | 0.4346 | 0.093* | |
H293 | −0.4298 | 0.4686 | 0.4430 | 0.093* | |
H4 | −0.1153 | 0.5837 | 0.1000 | 0.076 (8)* | |
H14 | −0.0030 | 0.7290 | 0.2784 | 0.084 (9)* |
U11 | U22 | U33 | U12 | U13 | U23 | |
O1 | 0.0334 (6) | 0.0517 (8) | 0.0419 (7) | −0.0008 (6) | −0.0075 (5) | 0.0036 (6) |
O2 | 0.0413 (7) | 0.0630 (9) | 0.0366 (7) | −0.0030 (6) | −0.0067 (5) | 0.0021 (6) |
C2 | 0.0323 (9) | 0.0396 (10) | 0.0423 (11) | −0.0057 (8) | −0.0035 (7) | 0.0055 (8) |
C3 | 0.0323 (8) | 0.0366 (9) | 0.0379 (10) | −0.0029 (7) | −0.0049 (7) | 0.0033 (8) |
C4 | 0.0316 (9) | 0.0380 (10) | 0.0417 (10) | −0.0016 (7) | −0.0066 (7) | 0.0035 (8) |
O4 | 0.0349 (7) | 0.0605 (9) | 0.0468 (8) | 0.0042 (6) | −0.0109 (6) | −0.0098 (7) |
C5 | 0.0412 (10) | 0.0470 (11) | 0.0441 (11) | 0.0028 (9) | −0.0042 (8) | 0.0035 (9) |
C6 | 0.0437 (10) | 0.0464 (11) | 0.0480 (11) | 0.0043 (9) | 0.0045 (8) | 0.0065 (9) |
C7 | 0.0384 (10) | 0.0511 (12) | 0.0579 (13) | 0.0060 (9) | 0.0039 (9) | 0.0078 (10) |
C8 | 0.0342 (9) | 0.0500 (11) | 0.0547 (12) | 0.0008 (9) | −0.0063 (8) | 0.0063 (10) |
C9 | 0.0366 (9) | 0.0396 (10) | 0.0393 (10) | −0.0022 (8) | −0.0036 (7) | 0.0059 (8) |
C10 | 0.0338 (9) | 0.0379 (9) | 0.0430 (10) | −0.0004 (8) | −0.0023 (7) | 0.0032 (8) |
O11 | 0.0359 (7) | 0.0542 (8) | 0.0457 (8) | −0.0079 (6) | −0.0056 (5) | 0.0025 (6) |
O12 | 0.0443 (7) | 0.0578 (9) | 0.0380 (8) | −0.0064 (6) | −0.0081 (6) | −0.0026 (6) |
C12 | 0.0333 (9) | 0.0371 (10) | 0.0433 (11) | 0.0010 (7) | −0.0032 (8) | 0.0023 (8) |
C13 | 0.0351 (9) | 0.0337 (9) | 0.0387 (10) | 0.0000 (7) | −0.0031 (7) | 0.0010 (7) |
C14 | 0.0347 (9) | 0.0336 (9) | 0.0400 (10) | 0.0014 (7) | −0.0026 (7) | −0.0030 (8) |
O14 | 0.0419 (7) | 0.0554 (8) | 0.0374 (7) | −0.0087 (6) | −0.0033 (6) | −0.0048 (6) |
C15 | 0.0441 (10) | 0.0381 (10) | 0.0414 (10) | 0.0022 (8) | 0.0024 (8) | −0.0018 (8) |
C16 | 0.0515 (11) | 0.0393 (10) | 0.0474 (11) | 0.0042 (9) | 0.0131 (9) | 0.0014 (9) |
C17 | 0.0432 (11) | 0.0513 (12) | 0.0610 (14) | −0.0029 (9) | 0.0095 (9) | 0.0085 (10) |
C18 | 0.0383 (10) | 0.0553 (13) | 0.0601 (13) | −0.0070 (9) | −0.0005 (9) | 0.0058 (10) |
C19 | 0.0366 (9) | 0.0425 (10) | 0.0427 (11) | 0.0024 (8) | −0.0004 (8) | 0.0039 (8) |
C20 | 0.0363 (9) | 0.0347 (9) | 0.0421 (10) | 0.0038 (8) | 0.0019 (7) | −0.0001 (8) |
C21 | 0.0369 (9) | 0.0362 (9) | 0.0346 (9) | −0.0029 (8) | −0.0044 (7) | −0.0002 (8) |
C22 | 0.0401 (9) | 0.0342 (9) | 0.0405 (10) | −0.0026 (8) | −0.0057 (8) | 0.0009 (8) |
C23 | 0.0445 (10) | 0.0435 (11) | 0.0485 (11) | 0.0033 (9) | −0.0026 (9) | 0.0015 (9) |
C24 | 0.0574 (13) | 0.0467 (12) | 0.0671 (15) | 0.0144 (10) | −0.0065 (11) | 0.0031 (11) |
C25 | 0.0788 (16) | 0.0432 (12) | 0.0630 (14) | 0.0078 (11) | −0.0133 (12) | 0.0124 (11) |
C26 | 0.0722 (15) | 0.0522 (13) | 0.0514 (13) | −0.0027 (11) | 0.0003 (11) | 0.0132 (10) |
C27 | 0.0477 (11) | 0.0448 (11) | 0.0480 (12) | −0.0002 (9) | 0.0006 (9) | 0.0068 (9) |
C28 | 0.0606 (13) | 0.0803 (17) | 0.0475 (12) | 0.0170 (12) | 0.0053 (10) | 0.0043 (12) |
C29 | 0.0792 (16) | 0.0558 (13) | 0.0504 (13) | −0.0061 (12) | 0.0168 (11) | 0.0018 (11) |
O1—C2 | 1.357 (2) | C15—C20 | 1.401 (3) |
O1—C9 | 1.376 (2) | C15—H15 | 0.93 |
O2—C2 | 1.231 (2) | C16—C17 | 1.402 (3) |
C2—C3 | 1.441 (2) | C16—C29 | 1.501 (3) |
C3—C4 | 1.360 (2) | C17—C18 | 1.371 (3) |
C3—C21 | 1.519 (2) | C17—H17 | 0.93 |
C4—O4 | 1.335 (2) | C18—C19 | 1.382 (3) |
C4—C10 | 1.447 (2) | C18—H18 | 0.93 |
O4—H4 | 0.90 | C19—C20 | 1.383 (3) |
C5—C6 | 1.382 (3) | C21—C22 | 1.534 (2) |
C5—C10 | 1.400 (3) | C21—H21 | 0.98 |
C5—H5 | 0.93 | C22—C23 | 1.385 (3) |
C6—C7 | 1.398 (3) | C22—C27 | 1.386 (3) |
C6—C28 | 1.503 (3) | C23—C24 | 1.377 (3) |
C7—C8 | 1.370 (3) | C23—H23 | 0.93 |
C7—H7 | 0.93 | C24—C25 | 1.375 (3) |
C8—C9 | 1.377 (3) | C24—H24 | 0.93 |
C8—H8 | 0.93 | C25—C26 | 1.369 (3) |
C9—C10 | 1.385 (2) | C25—H25 | 0.93 |
O11—C12 | 1.363 (2) | C26—C27 | 1.384 (3) |
O11—C19 | 1.378 (2) | C26—H26 | 0.93 |
O12—C12 | 1.222 (2) | C27—H27 | 0.93 |
C12—C13 | 1.435 (2) | C28—H281 | 0.96 |
C13—C14 | 1.363 (2) | C28—H282 | 0.96 |
C13—C21 | 1.522 (2) | C28—H283 | 0.96 |
C14—O14 | 1.338 (2) | C29—H291 | 0.96 |
C14—C20 | 1.445 (2) | C29—H292 | 0.96 |
O14—H14 | 0.85 | C29—H293 | 0.96 |
C15—C16 | 1.379 (3) | ||
C2—O1—C9 | 120.92 (14) | C18—C17—H17 | 119.2 |
O2—C2—O1 | 115.31 (15) | C16—C17—H17 | 119.2 |
O2—C2—C3 | 124.78 (17) | C17—C18—C19 | 118.86 (19) |
O1—C2—C3 | 119.91 (16) | C17—C18—H18 | 120.6 |
C4—C3—C2 | 118.41 (16) | C19—C18—H18 | 120.6 |
C4—C3—C21 | 126.74 (15) | O11—C19—C18 | 117.41 (17) |
C2—C3—C21 | 114.78 (15) | O11—C19—C20 | 120.81 (16) |
O4—C4—C3 | 124.37 (16) | C18—C19—C20 | 121.73 (18) |
O4—C4—C10 | 115.29 (16) | C19—C20—C15 | 118.14 (17) |
C3—C4—C10 | 120.22 (15) | C19—C20—C14 | 118.15 (16) |
C4—O4—H4 | 108.48 | C15—C20—C14 | 123.66 (17) |
C6—C5—C10 | 121.26 (18) | C3—C21—C13 | 112.25 (14) |
C6—C5—H5 | 119.4 | C3—C21—C22 | 115.72 (14) |
C10—C5—H5 | 119.4 | C13—C21—C22 | 114.69 (14) |
C5—C6—C7 | 117.95 (18) | C3—C21—H21 | 104.2 |
C5—C6—C28 | 121.25 (18) | C13—C21—H21 | 104.2 |
C7—C6—C28 | 120.79 (18) | C22—C21—H21 | 104.2 |
C8—C7—C6 | 122.09 (18) | C23—C22—C27 | 117.64 (17) |
C8—C7—H7 | 119.0 | C23—C22—C21 | 119.04 (16) |
C6—C7—H7 | 119.0 | C27—C22—C21 | 122.85 (16) |
C7—C8—C9 | 118.65 (18) | C24—C23—C22 | 121.29 (19) |
C7—C8—H8 | 120.7 | C24—C23—H23 | 119.4 |
C9—C8—H8 | 120.7 | C22—C23—H23 | 119.4 |
O1—C9—C8 | 117.31 (16) | C25—C24—C23 | 120.5 (2) |
O1—C9—C10 | 120.90 (16) | C25—C24—H24 | 119.7 |
C8—C9—C10 | 121.78 (18) | C23—C24—H24 | 119.7 |
C9—C10—C5 | 118.25 (16) | C26—C25—C24 | 118.9 (2) |
C9—C10—C4 | 117.83 (16) | C26—C25—H25 | 120.5 |
C5—C10—C4 | 123.83 (16) | C24—C25—H25 | 120.5 |
C12—O11—C19 | 121.35 (14) | C25—C26—C27 | 120.8 (2) |
O12—C12—O11 | 115.26 (15) | C25—C26—H26 | 119.6 |
O12—C12—C13 | 125.21 (16) | C27—C26—H26 | 119.6 |
O11—C12—C13 | 119.51 (16) | C26—C27—C22 | 120.8 (2) |
C14—C13—C12 | 118.91 (16) | C26—C27—H27 | 119.6 |
C14—C13—C21 | 122.72 (15) | C22—C27—H27 | 119.6 |
C12—C13—C21 | 118.32 (15) | C6—C28—H281 | 109.5 |
O14—C14—C13 | 124.39 (16) | C6—C28—H282 | 109.5 |
O14—C14—C20 | 114.95 (15) | H281—C28—H282 | 109.5 |
C13—C14—C20 | 120.66 (16) | C6—C28—H283 | 109.5 |
C14—O14—H14 | 106.28 | H281—C28—H283 | 109.5 |
C16—C15—C20 | 121.44 (18) | H282—C28—H283 | 109.5 |
C16—C15—H15 | 119.3 | C16—C29—H291 | 109.5 |
C20—C15—H15 | 119.3 | C16—C29—H292 | 109.5 |
C15—C16—C17 | 118.16 (18) | H291—C29—H292 | 109.5 |
C15—C16—C29 | 121.6 (2) | C16—C29—H293 | 109.5 |
C17—C16—C29 | 120.27 (18) | H291—C29—H293 | 109.5 |
C18—C17—C16 | 121.63 (19) | H292—C29—H293 | 109.5 |
C9—O1—C2—O2 | −178.42 (15) | C20—C15—C16—C17 | −1.6 (3) |
C9—O1—C2—C3 | 2.5 (2) | C20—C15—C16—C29 | 178.16 (18) |
O2—C2—C3—C4 | −169.30 (18) | C15—C16—C17—C18 | 1.9 (3) |
O1—C2—C3—C4 | 9.7 (3) | C29—C16—C17—C18 | −177.9 (2) |
O2—C2—C3—C21 | 7.9 (3) | C16—C17—C18—C19 | −0.2 (3) |
O1—C2—C3—C21 | −173.04 (15) | C12—O11—C19—C18 | −175.84 (17) |
C2—C3—C4—O4 | 169.47 (16) | C12—O11—C19—C20 | 1.8 (3) |
C21—C3—C4—O4 | −7.4 (3) | C17—C18—C19—O11 | 175.80 (18) |
C2—C3—C4—C10 | −14.7 (3) | C17—C18—C19—C20 | −1.8 (3) |
C21—C3—C4—C10 | 168.42 (16) | O11—C19—C20—C15 | −175.44 (16) |
C10—C5—C6—C7 | 0.4 (3) | C18—C19—C20—C15 | 2.1 (3) |
C10—C5—C6—C28 | −178.94 (19) | O11—C19—C20—C14 | 2.1 (3) |
C5—C6—C7—C8 | 1.0 (3) | C18—C19—C20—C14 | 179.57 (17) |
C28—C6—C7—C8 | −179.7 (2) | C16—C15—C20—C19 | −0.3 (3) |
C6—C7—C8—C9 | −1.4 (3) | C16—C15—C20—C14 | −177.67 (17) |
C2—O1—C9—C8 | 170.65 (16) | O14—C14—C20—C19 | −179.72 (16) |
C2—O1—C9—C10 | −9.6 (3) | C13—C14—C20—C19 | 0.1 (3) |
C7—C8—C9—O1 | −179.94 (17) | O14—C14—C20—C15 | −2.4 (3) |
C7—C8—C9—C10 | 0.3 (3) | C13—C14—C20—C15 | 177.43 (17) |
O1—C9—C10—C5 | −178.71 (16) | C4—C3—C21—C13 | 88.7 (2) |
C8—C9—C10—C5 | 1.0 (3) | C2—C3—C21—C13 | −88.27 (18) |
O1—C9—C10—C4 | 4.5 (3) | C4—C3—C21—C22 | −45.6 (2) |
C8—C9—C10—C4 | −175.77 (17) | C2—C3—C21—C22 | 137.47 (16) |
C6—C5—C10—C9 | −1.4 (3) | C14—C13—C21—C3 | 93.8 (2) |
C6—C5—C10—C4 | 175.22 (18) | C12—C13—C21—C3 | −83.78 (19) |
O4—C4—C10—C9 | −175.93 (16) | C14—C13—C21—C22 | −131.47 (18) |
C3—C4—C10—C9 | 7.9 (3) | C12—C13—C21—C22 | 51.0 (2) |
O4—C4—C10—C5 | 7.5 (3) | C3—C21—C22—C23 | 169.25 (16) |
C3—C4—C10—C5 | −168.74 (17) | C13—C21—C22—C23 | 36.1 (2) |
C19—O11—C12—O12 | 173.60 (16) | C3—C21—C22—C27 | −18.8 (2) |
C19—O11—C12—C13 | −7.5 (2) | C13—C21—C22—C27 | −151.97 (17) |
O12—C12—C13—C14 | −171.80 (17) | C27—C22—C23—C24 | 1.4 (3) |
O11—C12—C13—C14 | 9.5 (3) | C21—C22—C23—C24 | 173.79 (18) |
O12—C12—C13—C21 | 5.8 (3) | C22—C23—C24—C25 | −1.1 (3) |
O11—C12—C13—C21 | −172.89 (15) | C23—C24—C25—C26 | 0.1 (3) |
C12—C13—C14—O14 | 174.07 (16) | C24—C25—C26—C27 | 0.4 (3) |
C21—C13—C14—O14 | −3.5 (3) | C25—C26—C27—C22 | 0.1 (3) |
C12—C13—C14—C20 | −5.7 (3) | C23—C22—C27—C26 | −0.9 (3) |
C21—C13—C14—C20 | 176.75 (15) | C21—C22—C27—C26 | −172.98 (18) |
D—H···A | D—H | H···A | D···A | D—H···A |
O4—H4···O12 | 0.90 | 1.77 | 2.658 (2) | 165 |
O14—H14···O2 | 0.85 | 1.78 | 2.631 (2) | 173 |
C21—H21···O2 | 0.98 | 2.36 | 2.808 (2) | 107 |
C21—H21···O14 | 0.98 | 2.50 | 2.948 (2) | 108 |