Crystallography Open Database

Information card for entry 1517831

Preview

Coordinates	1517831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 Br
Calculated formula	C24 H19 Br
SMILES	Brc1cc(c2c(c1CCc1ccccc1)cccc2)c1ccccc1
Title of publication	Electrophilic Cyclizations of Diaryl-2,3-allenyl Ethers with N-Bromosuccinimide: En Route to 2-Bromonaphthalenes.
Authors of publication	Wang, Minyan; Li, Jing; Fu, Chunling; Ma, Shengming
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	19
Pages of publication	4976 - 4979
a	9.4179 ± 0.001 Å
b	9.952 ± 0.0012 Å
c	11.0905 ± 0.0012 Å
α	94.288 ± 0.009°
β	108.773 ± 0.009°
γ	108.953 ± 0.01°
Cell volume	912 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.083
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517831.cif
124909	2014-10-06	cif/ Updating files of 1517831 Original log message: Adding full bibliography for 1517831.cif.	1517831.cif
124226	2014-09-25	cif/ Adding structures of 1517831 via cif-deposit CGI script.	1517831.cif