Crystallography Open Database

Information card for entry 4020781

4020780 << 4020781 >> 4020782

Preview

Structure parameters

Formula	C16 H16 Br2 O5
Calculated formula	C16 H16 Br2 O5
SMILES	BrC1=C(Br)[C@@H]2O[C@H]([C@@]1(O)c1c(OC)c(OC)c(OC)cc1)C=C2.BrC1=C(Br)[C@H]2O[C@@H]([C@]1(O)c1c(OC)c(OC)c(OC)cc1)C=C2
Title of publication	Bicyclo[3.2.1]octane Synthons from Cyclopropenes: Functionalization of Cycloadducts by Nucleophilic Additions
Authors of publication	Ravi S. Orugunty; Dennis L. Wright; Merle A. Battiste; Richard J. Helmich; Khalil Abboud
Journal of publication	Journal of Organic Chemistry
Year of publication	2004
Journal volume	69
Pages of publication	406 - 416
a	7.2803 ± 0.0004 Å
b	26.718 ± 0.002 Å
c	8.572 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1667.4 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4020781.html