Crystallography Open Database

Information card for entry 4116338

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Original paper (by DOI)	HTML

Structure parameters

Common name	tetrabromopentacyclotetradecane
Formula	C14 H16 Br4
Calculated formula	C14 H16 Br4
SMILES	[C@@H]1(Br)[C@@H]2[C@@H]3[C@H]([C@H]1Br)CC1C[C@H]4[C@H]([C@@H]2[C@@H]([C@H]4Br)Br)C31
Title of publication	Novel Ruthenium Complex-Catalyzed Dimerization of 2,5-Norbornadiene to Pentacyclo[6.6.0.0^2,6^.0^3,13^.0^10,14^]tetradeca-4,11-diene Involving Carbon-Carbon Bond Cleavage
Authors of publication	Take-aki Mitsudo; Toshiaki Suzuki; Shi-Wei Zhang; Daisuke Imai; Ken-ichi Fujita; Takao Manabe; Masashi Shiotsuki; Yoshihisa Watanabe; Kenji Wada; Teruyuki Kondo
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Journal issue	9
Pages of publication	1839 - 1850
a	14.183 ± 0.004 Å
b	16.477 ± 0.004 Å
c	6.387 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1492.6 ± 1.1 Å³
Cell temperature	291.2 K
Ambient diffraction temperature	291.2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0
Residual factor for significantly intense reflections	0
Weighted residual factors for significantly intense reflections	0
Weighted residual factors for all reflections included in the refinement	0.034
Goodness-of-fit parameter for all reflections included in the refinement	1.88
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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