[6a,16b]-cis-7,7-Di­methyl-6,6a,7,16b-tetra­hydro­chromeno­[4′,3′:3,4]­pyrano­[3,2-c]-α-naphthocoumarin

In the title compound, C₂₅H₂₀O₄, the di­hydro­pyran rings adopt distorted sofa conformations. The mol­ecule comprises two planar regions which form a dihedral angle of 62.56 (3)°. C—H...π interactions link the mol­ecules to form centrosymmetric dimeric pairs. The dimers are interlinked along the [101] direction by C—H...O hydrogen bonds.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.003 Å
• R factor = 0.049
• wR factor = 0.153
• Data-to-parameter ratio = 14.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

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S1. Comment

Coumarin derivatives occurring in plants have different biological activities (Cisowski, 1983, 1984). These derivatives are used in oral anticoagulation therapy (Cole et al., 1988; Greenfield, 1988). Coumarin derivatives have been found to be useful in solid state photochemical reactions (Gnanaguru et al., 1985) and in dye lasers (Masilamani, 1979). Coumarin substrates are also used in enzyme determination (Michel & Durant, 1976). The title compound, (I), a coumarin derivative was chosen for crystallographic study to determine its structure and conformation.

The title molecule (Fig. 1) consists of three benzene rings (A, B and F), one pyran ring (C) and two dihydropyran rings (D and E). The molecule contains two planar regions, one comprising of atoms in A, B, C and D rings and other containing atoms in E and F rings. The weighted least-squares planes through these two halves (excluding C17), form a dihedral angle of 62.56 (3)°. The H17—C17—C26—H26 torsion angle at the D and E ring junction is −46.6 (2)°. Both the dihydropyran rings, D and E, adopt distorted sofa conformations with a ΔC_s(C17) asymmetry parameter of 0.070 (1) and 0.026 (1), respectively (Nardelli, 1983); the deviation of C17 from the C3—C4—O15—C16—C26 and C18—O19—C20—C25—C26 planes is 0.623 (2) and 0.633 (2) Å, respectively. All the C—C bond lengths in the title compound agree well with the mean values (Allen et al., 1987). The C2—O1 [1.381 (2) Å], C14—O1 [1.371 (2) Å] and C2—O29 [1.216 (2) Å] distances in the pyran ring agree well with those reported in the related structures (Chinnakali et al., 1998, 1999).

In the crystal, the inversion related molecules are linked to form dimeric pairs by mutual C—H···π interactions (Table 2), C28—H28A···CgA, where CgA is the centroid of the benzene ring A (C9—C13) of the symmetry-related molecule at (1 − x, 1 − y, −z). The dimeric pairs are interlinked by C7—H7···O29ⁱⁱ [symmetry code:(ii) x − 1/2, 3/2 − y, z − 1/2] hydrogen bonds along the [101] direction.

S2. Experimental

To a refluxing solution of 4-hydroxy-α-naphthocoumarin (1 mmol) in 10 ml of dry ethanol, 2-(3-methyl-2-butenyloxy)benzaldehyde (1 mmol) was added and the reaction mixture was refluxed for 7 h; evaporation of the solvent and flash column chromatography (hexane/ethyl acetate) afforded the title compound as a colourless solid with 22% yield. Single crystals were grown by slow evaporation from a solution in methanol–chloroform (1:1).

S3. Refinement

The H atoms were positioned geometrically and were treated as riding on their parent C atoms; refined isotropically with phenyl C—H distance of 0.93 Å, methyl C—H distance of 0.96 Å, methylene C—H distance of 0.98 Å and ethylene C—H distance of 0.97 Å.

Computing details

Data collection: CAD-4 EXPRESS (Enraf–Nonius, 1994); cell refinement: CAD-4 EXPRESS; data reduction: XCAD4 (Harms & Wocadlo, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia,1997) and PLATON (Spek, 1990); software used to prepare material for publication: SHELXL97 and PARST (Nardelli, 1995).

Figures

	Fig. 1. The molecular structure of title compound showing 50% probability displacement ellipsoids.
	Fig. 2. Packing of the molecules in the title compound, viewed down the a axis. For clarity, H atoms not involved in hydrogen bonding have been omitted.

[6a,16b]-cis-7,7-Dimethyl-6,6a,7,16b- tetrahydrochromeno[4',3':3,4]pyrano[3,2-c]-α-naphthocoumarin

Crystal data

C25H20O4	F(000) = 808
Mr = 384.41	Dx = 1.324 Mg m^−3
Monoclinic, P21/n	Cu Kα radiation, λ = 1.54180 Å
Hall symbol: -P 2yn	Cell parameters from 25 reflections
a = 12.172 (1) Å	θ = 15–35°
b = 9.140 (1) Å	µ = 0.72 mm^−1
c = 18.081 (1) Å	T = 293 K
β = 106.58 (1)°	Block, colourless
V = 1927.9 (3) Å^3	0.30 × 0.25 × 0.20 mm
Z = 4

Data collection

Enraf–Nonius CAD-4 diffractometer	Rint = 0.014
Radiation source: fine-focus sealed tube	θmax = 71.9°, θmin = 3.9°
Graphite monochromator	h = 0→15
ω–2θ scans	k = 0→11
3967 measured reflections	l = −22→21
3783 independent reflections	3 standard reflections every 100 reflections
2686 reflections with I > 2σ(I)	intensity decay: none

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.049	H-atom parameters constrained
wR(F^2) = 0.153	w = 1/[σ^2(Fo^2) + (0.0905P)^2 + 0.3018P] where P = (Fo^2 + 2Fc^2)/3
S = 1.02	(Δ/σ)max < 0.001
3783 reflections	Δρmax = 0.20 e Å^−3
263 parameters	Δρmin = −0.25 e Å^−3
0 restraints	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0045 (5)

Special details

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
O1	0.68391 (10)	0.79519 (16)	0.10818 (7)	0.0528 (4)
C2	0.68450 (16)	0.7257 (2)	0.17611 (10)	0.0508 (5)
C3	0.58192 (15)	0.6570 (2)	0.18167 (9)	0.0440 (4)
C4	0.48988 (14)	0.6497 (2)	0.11790 (9)	0.0417 (4)
C5	0.49193 (14)	0.7184 (2)	0.04648 (9)	0.0430 (4)
C6	0.39750 (16)	0.7161 (2)	−0.02126 (10)	0.0516 (5)
H6	0.3305	0.6674	−0.0211	0.062*
C7	0.40477 (16)	0.7847 (2)	−0.08620 (10)	0.0531 (5)
H7	0.3425	0.7820	−0.1302	0.064*
C8	0.50480 (15)	0.8601 (2)	−0.08835 (9)	0.0452 (4)
C9	0.51411 (18)	0.9306 (2)	−0.15618 (11)	0.0527 (5)
H9	0.4522	0.9295	−0.2004	0.063*
C10	0.6122 (2)	0.9996 (2)	−0.15725 (12)	0.0583 (5)
H10	0.6172	1.0435	−0.2026	0.070*
C11	0.70632 (19)	1.0058 (2)	−0.09097 (12)	0.0597 (5)
H11	0.7725	1.0552	−0.0923	0.072*
C12	0.70080 (17)	0.9394 (2)	−0.02445 (11)	0.0530 (5)
H12	0.7635	0.9433	0.0193	0.064*
C13	0.60074 (15)	0.8649 (2)	−0.02168 (9)	0.0436 (4)
C14	0.58970 (15)	0.7905 (2)	0.04481 (9)	0.0430 (4)
O15	0.39235 (10)	0.57902 (16)	0.11412 (7)	0.0517 (4)
C16	0.37477 (15)	0.5139 (2)	0.18455 (11)	0.0456 (4)
C17	0.49121 (16)	0.4570 (2)	0.23484 (11)	0.0470 (4)
H17	0.5171	0.3844	0.2036	0.056*
C18	0.4903 (2)	0.3799 (2)	0.30928 (13)	0.0616 (6)
H18A	0.4292	0.3079	0.2975	0.074*
H18B	0.5622	0.3277	0.3289	0.074*
O19	0.47520 (15)	0.4735 (2)	0.36842 (9)	0.0742 (5)
C20	0.52330 (19)	0.6102 (3)	0.37570 (11)	0.0598 (6)
C21	0.5152 (2)	0.6896 (4)	0.43913 (13)	0.0804 (8)
H21	0.4833	0.6471	0.4750	0.096*
C22	0.5541 (2)	0.8309 (4)	0.44906 (15)	0.0878 (9)
H22	0.5500	0.8834	0.4922	0.105*
C23	0.5995 (2)	0.8958 (3)	0.39522 (16)	0.0802 (8)
H23	0.6236	0.9927	0.4010	0.096*
C24	0.60862 (19)	0.8146 (3)	0.33238 (12)	0.0613 (6)
H24	0.6399	0.8581	0.2965	0.074*
C25	0.57236 (16)	0.6705 (2)	0.32170 (10)	0.0509 (5)
C26	0.58379 (15)	0.5763 (2)	0.25478 (10)	0.0448 (4)
H26	0.6580	0.5264	0.2722	0.054*
C27	0.31806 (17)	0.6303 (2)	0.21983 (12)	0.0566 (5)
H27A	0.3717	0.7076	0.2397	0.085*
H27B	0.2932	0.5886	0.2611	0.085*
H27C	0.2531	0.6688	0.1812	0.085*
C28	0.2908 (2)	0.3907 (3)	0.15310 (14)	0.0659 (6)
H28A	0.3277	0.3169	0.1308	0.099*
H28B	0.2257	0.4285	0.1144	0.099*
H28C	0.2660	0.3486	0.1943	0.099*
O29	0.77551 (12)	0.7283 (2)	0.22640 (8)	0.0734 (5)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O1	0.0416 (6)	0.0783 (10)	0.0355 (6)	−0.0165 (6)	0.0060 (5)	0.0084 (6)
C2	0.0420 (9)	0.0735 (14)	0.0350 (8)	−0.0080 (9)	0.0079 (7)	0.0073 (9)
C3	0.0413 (9)	0.0565 (11)	0.0352 (8)	−0.0029 (8)	0.0126 (7)	0.0027 (8)
C4	0.0350 (8)	0.0533 (10)	0.0391 (8)	−0.0036 (7)	0.0142 (7)	−0.0002 (8)
C5	0.0375 (9)	0.0579 (11)	0.0339 (8)	−0.0039 (8)	0.0108 (7)	−0.0005 (8)
C6	0.0392 (9)	0.0742 (14)	0.0397 (9)	−0.0080 (9)	0.0087 (7)	−0.0024 (9)
C7	0.0441 (10)	0.0752 (14)	0.0366 (9)	0.0014 (9)	0.0061 (7)	−0.0008 (9)
C8	0.0518 (10)	0.0504 (10)	0.0346 (8)	0.0050 (8)	0.0141 (7)	−0.0008 (8)
C9	0.0675 (12)	0.0525 (11)	0.0385 (9)	0.0088 (10)	0.0157 (8)	0.0040 (8)
C10	0.0824 (14)	0.0521 (12)	0.0466 (10)	0.0051 (11)	0.0283 (10)	0.0088 (9)
C11	0.0701 (13)	0.0575 (13)	0.0600 (12)	−0.0119 (11)	0.0323 (10)	0.0019 (10)
C12	0.0548 (11)	0.0606 (12)	0.0455 (10)	−0.0092 (9)	0.0173 (8)	0.0013 (9)
C13	0.0474 (9)	0.0505 (10)	0.0355 (8)	−0.0027 (8)	0.0159 (7)	−0.0020 (8)
C14	0.0379 (8)	0.0581 (11)	0.0322 (8)	−0.0032 (8)	0.0087 (6)	−0.0013 (7)
O15	0.0405 (6)	0.0710 (9)	0.0454 (7)	−0.0114 (6)	0.0150 (5)	0.0052 (6)
C16	0.0440 (9)	0.0460 (10)	0.0536 (10)	−0.0024 (8)	0.0248 (8)	0.0046 (8)
C17	0.0494 (10)	0.0454 (10)	0.0535 (10)	0.0080 (8)	0.0264 (8)	0.0046 (8)
C18	0.0693 (13)	0.0545 (12)	0.0707 (14)	0.0104 (10)	0.0353 (11)	0.0172 (10)
O19	0.0956 (12)	0.0789 (11)	0.0657 (9)	0.0106 (10)	0.0513 (9)	0.0170 (8)
C20	0.0644 (13)	0.0738 (15)	0.0452 (10)	0.0197 (11)	0.0220 (9)	0.0104 (10)
C21	0.0923 (18)	0.105 (2)	0.0498 (12)	0.0325 (17)	0.0304 (12)	0.0051 (13)
C22	0.0889 (18)	0.112 (2)	0.0608 (15)	0.0295 (18)	0.0194 (13)	−0.0225 (16)
C23	0.0783 (16)	0.0783 (17)	0.0729 (16)	0.0158 (14)	0.0035 (13)	−0.0183 (13)
C24	0.0589 (12)	0.0695 (14)	0.0495 (11)	0.0082 (11)	0.0058 (9)	−0.0006 (10)
C25	0.0476 (10)	0.0636 (12)	0.0403 (9)	0.0114 (9)	0.0109 (7)	0.0060 (9)
C26	0.0439 (9)	0.0540 (11)	0.0391 (9)	0.0038 (8)	0.0162 (7)	0.0069 (8)
C27	0.0539 (11)	0.0575 (12)	0.0645 (12)	0.0108 (9)	0.0268 (10)	0.0052 (10)
C28	0.0615 (13)	0.0586 (13)	0.0824 (15)	−0.0109 (10)	0.0279 (11)	−0.0015 (11)
O29	0.0465 (8)	0.1216 (14)	0.0433 (7)	−0.0230 (8)	−0.0011 (6)	0.0180 (8)

Geometric parameters (Å, º)

O1—C14	1.371 (2)	C16—C28	1.518 (3)
O1—C2	1.381 (2)	C16—C17	1.540 (3)
C2—O29	1.216 (2)	C17—C18	1.522 (3)
C2—C3	1.427 (2)	C17—C26	1.535 (3)
C3—C4	1.361 (2)	C17—H17	0.98
C3—C26	1.508 (2)	C18—O19	1.422 (3)
C4—O15	1.336 (2)	C18—H18A	0.97
C4—C5	1.443 (2)	C18—H18B	0.97
C5—C14	1.368 (2)	O19—C20	1.370 (3)
C5—C6	1.421 (2)	C20—C21	1.385 (3)
C6—C7	1.356 (3)	C20—C25	1.395 (3)
C6—H6	0.93	C21—C22	1.370 (4)
C7—C8	1.409 (3)	C21—H21	0.93
C7—H7	0.93	C22—C23	1.382 (4)
C8—C9	1.418 (2)	C22—H22	0.93
C8—C13	1.420 (2)	C23—C24	1.388 (3)
C9—C10	1.356 (3)	C23—H23	0.93
C9—H9	0.93	C24—C25	1.385 (3)
C10—C11	1.403 (3)	C24—H24	0.93
C10—H10	0.93	C25—C26	1.523 (3)
C11—C12	1.366 (3)	C26—H26	0.98
C11—H11	0.93	C27—H27A	0.96
C12—C13	1.409 (3)	C27—H27B	0.96
C12—H12	0.93	C27—H27C	0.96
C13—C14	1.420 (2)	C28—H28A	0.96
O15—C16	1.476 (2)	C28—H28B	0.96
C16—C27	1.505 (3)	C28—H28C	0.96
C14—O1—C2	121.31 (14)	C18—C17—C16	116.18 (15)
O29—C2—O1	115.36 (16)	C26—C17—C16	112.90 (15)
O29—C2—C3	125.78 (17)	C18—C17—H17	106.3
O1—C2—C3	118.86 (15)	C26—C17—H17	106.3
C4—C3—C2	119.17 (16)	C16—C17—H17	106.3
C4—C3—C26	121.43 (16)	O19—C18—C17	114.94 (17)
C2—C3—C26	118.84 (15)	O19—C18—H18A	108.5
O15—C4—C3	124.88 (16)	C17—C18—H18A	108.5
O15—C4—C5	114.00 (14)	O19—C18—H18B	108.5
C3—C4—C5	121.11 (16)	C17—C18—H18B	108.5
C14—C5—C6	118.87 (16)	H18A—C18—H18B	107.5
C14—C5—C4	117.83 (15)	C20—O19—C18	118.51 (15)
C6—C5—C4	123.30 (16)	O19—C20—C21	115.4 (2)
C7—C6—C5	120.21 (17)	O19—C20—C25	123.34 (19)
C7—C6—H6	119.9	C21—C20—C25	121.2 (2)
C5—C6—H6	119.9	C22—C21—C20	119.9 (3)
C6—C7—C8	121.36 (16)	C22—C21—H21	120.0
C6—C7—H7	119.3	C20—C21—H21	120.0
C8—C7—H7	119.3	C21—C22—C23	120.3 (2)
C7—C8—C9	121.94 (17)	C21—C22—H22	119.8
C7—C8—C13	119.96 (16)	C23—C22—H22	119.8
C9—C8—C13	118.10 (17)	C22—C23—C24	119.2 (3)
C10—C9—C8	120.79 (18)	C22—C23—H23	120.4
C10—C9—H9	119.6	C24—C23—H23	120.4
C8—C9—H9	119.6	C25—C24—C23	121.7 (2)
C9—C10—C11	120.95 (18)	C25—C24—H24	119.1
C9—C10—H10	119.5	C23—C24—H24	119.1
C11—C10—H10	119.5	C24—C25—C20	117.5 (2)
C12—C11—C10	120.07 (19)	C24—C25—C26	123.40 (18)
C12—C11—H11	120.0	C20—C25—C26	119.14 (19)
C10—C11—H11	120.0	C3—C26—C25	115.97 (16)
C11—C12—C13	120.43 (19)	C3—C26—C17	108.37 (14)
C11—C12—H12	119.8	C25—C26—C17	111.14 (14)
C13—C12—H12	119.8	C3—C26—H26	107.0
C12—C13—C8	119.64 (16)	C25—C26—H26	107.0
C12—C13—C14	123.58 (16)	C17—C26—H26	107.0
C8—C13—C14	116.77 (16)	C16—C27—H27A	109.5
C5—C14—O1	121.47 (16)	C16—C27—H27B	109.5
C5—C14—C13	122.83 (16)	H27A—C27—H27B	109.5
O1—C14—C13	115.70 (15)	C16—C27—H27C	109.5
C4—O15—C16	119.77 (13)	H27A—C27—H27C	109.5
O15—C16—C27	106.10 (15)	H27B—C27—H27C	109.5
O15—C16—C28	102.94 (15)	C16—C28—H28A	109.5
C27—C16—C28	110.00 (16)	C16—C28—H28B	109.5
O15—C16—C17	108.08 (13)	H28A—C28—H28B	109.5
C27—C16—C17	116.39 (16)	C16—C28—H28C	109.5
C28—C16—C17	112.25 (17)	H28A—C28—H28C	109.5
C18—C17—C26	108.12 (16)	H28B—C28—H28C	109.5
C14—O1—C2—O29	174.79 (19)	C3—C4—O15—C16	6.0 (3)
C14—O1—C2—C3	−4.6 (3)	C5—C4—O15—C16	−175.06 (15)
O29—C2—C3—C4	−173.1 (2)	C4—O15—C16—C27	90.5 (2)
O1—C2—C3—C4	6.2 (3)	C4—O15—C16—C28	−153.9 (2)
O29—C2—C3—C26	−1.6 (3)	C4—O15—C16—C17	−35.0 (2)
O1—C2—C3—C26	177.76 (17)	O15—C16—C17—C18	−177.69 (16)
C2—C3—C4—O15	174.76 (18)	C27—C16—C17—C18	63.1 (2)
C26—C3—C4—O15	3.4 (3)	C28—C16—C17—C18	−64.9 (2)
C2—C3—C4—C5	−4.1 (3)	O15—C16—C17—C26	56.59 (19)
C26—C3—C4—C5	−175.5 (2)	C27—C16—C17—C26	−62.6 (2)
O15—C4—C5—C14	−178.61 (17)	C28—C16—C17—C26	169.42 (15)
C3—C4—C5—C14	0.4 (3)	C26—C17—C18—O19	55.3 (2)
O15—C4—C5—C6	2.2 (3)	C16—C17—C18—O19	−72.8 (2)
C3—C4—C5—C6	−178.86 (19)	C17—C18—O19—C20	−35.4 (3)
C14—C5—C6—C7	−0.1 (3)	C18—O19—C20—C21	−173.70 (19)
C4—C5—C6—C7	179.11 (19)	C18—O19—C20—C25	9.4 (3)
C5—C6—C7—C8	−0.3 (3)	O19—C20—C21—C22	−175.9 (2)
C6—C7—C8—C9	179.13 (19)	C25—C20—C21—C22	1.0 (4)
C6—C7—C8—C13	0.2 (3)	C20—C21—C22—C23	1.3 (4)
C7—C8—C9—C10	−178.52 (19)	C21—C22—C23—C24	−2.1 (4)
C13—C8—C9—C10	0.5 (3)	C22—C23—C24—C25	0.7 (3)
C8—C9—C10—C11	−1.3 (3)	C23—C24—C25—C20	1.5 (3)
C9—C10—C11—C12	1.2 (3)	C23—C24—C25—C26	−178.29 (19)
C10—C11—C12—C13	−0.3 (3)	O19—C20—C25—C24	174.3 (2)
C11—C12—C13—C8	−0.6 (3)	C21—C20—C25—C24	−2.4 (3)
C11—C12—C13—C14	178.51 (19)	O19—C20—C25—C26	−5.9 (3)
C7—C8—C13—C12	179.47 (18)	C21—C20—C25—C26	177.44 (19)
C9—C8—C13—C12	0.5 (3)	C4—C3—C26—C25	−107.7 (2)
C7—C8—C13—C14	0.3 (3)	C2—C3—C26—C25	81.0 (2)
C9—C8—C13—C14	−178.64 (17)	C4—C3—C26—C17	18.1 (2)
C6—C5—C14—O1	−179.4 (2)	C2—C3—C26—C17	−153.29 (17)
C4—C5—C14—O1	1.4 (3)	C24—C25—C26—C3	−28.5 (2)
C6—C5—C14—C13	0.7 (3)	C20—C25—C26—C3	151.63 (17)
C4—C5—C14—C13	−178.59 (17)	C24—C25—C26—C17	−152.88 (17)
C2—O1—C14—C5	0.8 (3)	C20—C25—C26—C17	27.3 (2)
C2—O1—C14—C13	−179.22 (17)	C18—C17—C26—C3	−177.81 (15)
C12—C13—C14—C5	−179.86 (19)	C16—C17—C26—C3	−47.87 (19)
C8—C13—C14—C5	−0.8 (3)	C18—C17—C26—C25	−49.28 (19)
C12—C13—C14—O1	0.2 (3)	C16—C17—C26—C25	80.67 (18)
C8—C13—C14—O1	179.27 (16)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C28—H28A···CgA^i	0.96	2.60	3.530 (3)	163
C7—H7···O29^ii	0.93	2.49	3.306 (2)	147

Symmetry codes: (i) −x+1, −y+1, −z; (ii) x−1/2, −y+3/2, z−1/2.