Crystallography Open Database

Information card for entry 2003239

2003238 << 2003239 >> 2003240

Preview

Coordinates	2003239.cif
Original IUCr paper	HTML

Structure parameters

Formula	C22 H24 Cl8 O6
Calculated formula	C22 H24 Cl8 O6
SMILES	Cl[C@]12[C@H]3[C@H](COC[C@@H]4[C@H](COC3)[C@]3(Cl)C(=C(Cl)[C@@]4(Cl)C3(OC)OC)Cl)[C@](Cl)(C(=C1Cl)Cl)C2(OC)OC
Title of publication	The <i>endo</i>-<i>endo</i>-<i>syn</i> Diels–Alder Diadduct of Tetrachlorodimethoxycyclopentadiene with 1,6-Dioxacyclodeca-3,8-diene
Authors of publication	Garcia, J. G.; Fronczek, F. R.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	3
Pages of publication	468 - 471
a	14.3565 ± 0.0007 Å
b	14.8021 ± 0.0008 Å
c	25.612 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5442.7 ± 0.6 Å³
Cell temperature	295 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.037
Goodness-of-fit parameter for significantly intense reflections	1.468
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.