Crystallography Open Database

Information card for entry 4038246

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Coordinates	4038246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H13 Cl N2 O3
Calculated formula	C12 H13 Cl N2 O3
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	7.5174 ± 0.0006 Å
b	10.8721 ± 0.0009 Å
c	7.6231 ± 0.0006 Å
α	90°
β	92.3519 ± 0.001°
γ	90°
Cell volume	622.51 ± 0.09 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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