Crystallography Open Database

Information card for entry 8101052

Preview

Coordinates	8101052.cif

Structure parameters

Formula	C17 H22 Br2 O6
Calculated formula	C17 H22 Br2 O6
SMILES	Br[C@H]1CCC[C@@H]2C[C@H]3[C@@H](O[C@H]4[C@@]12[C@](Br)([C@@]34C(=O)OC)C(=O)OC)OC.Br[C@@H]1CCC[C@H]2C[C@@H]3[C@H](O[C@@H]4[C@]12[C@@](Br)([C@]34C(=O)OC)C(=O)OC)OC
Title of publication	Crystal structure of dimethyl (1R,2R,3S,4R,6R,7R,9R,13R)-2, 13-dibromo-6-methoxy-5-oxatetracyclo[7.4.0.0^1,4^.0^3,7^]tridecane- 2,3-dicarboxylate, C~17~H~22~Br~2~O~6~
Authors of publication	Peters, Eva-Maria; Peters, Karl; Neumann, Matthias; Tochtermann, Werner
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2001
Journal volume	216
Journal issue	3
Pages of publication	469 - 470
a	12.207 ± 0.001 Å
b	14.06 ± 0.001 Å
c	12.402 ± 0.001 Å
α	90°
β	118.659 ± 0.006°
γ	90°
Cell volume	1867.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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