Crystallography Open Database

Information card for entry 7051335

Preview

Coordinates	7051335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H19 Br2 N3 O
Calculated formula	C5 H18 Br2 N3 O
SMILES	[Br-].[Br-].O.[NH3+]CCCNCC[NH3+]
Journal of publication	New Journal of Chemistry
Year of publication	2000
Journal volume	24
Journal issue	10
Pages of publication	787 - 798
a	4.8037 ± 0.001 Å
b	11.005 ± 0.002 Å
c	10.871 ± 0.002 Å
α	90°
β	95.63 ± 0.03°
γ	90°
Cell volume	571.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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