Crystallography Open Database

Information card for entry 4038245

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Coordinates	4038245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H15 Br N2 O2
Calculated formula	C12 H15 Br N2 O2
Title of publication	Synthesis and Synthetic Application of Chloro- and Bromofuroxans.
Authors of publication	Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko
Journal of publication	The Journal of organic chemistry
Year of publication	2020
Journal volume	85
Journal issue	9
Pages of publication	5959 - 5972
a	9.2209 Å
b	6.6668 Å
c	9.3831 Å
α	90°
β	99.2121°
γ	90°
Cell volume	569.376 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for significantly intense reflections	0.0178
Weighted residual factors for all reflections included in the refinement	0.0465
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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