Crystallography Open Database

Information card for entry 7132915

Preview

Coordinates	7132915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H5.5 N1.5 O0.5
Calculated formula	C8 H5.5 N1.5 O0.5
Title of publication	Rh(II)-catalysed <i>N</i><sup>2</sup>-selective arylation of benzotriazoles and indazoles using quinoid carbenes <i>via</i> 1,5-H shift.
Authors of publication	Sarkar, Souradip; Bhunya, Sourav; Pan, Subarna; Datta, Arnadeep; Roy, Lisa; Samanta, Rajarshi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	35
Pages of publication	4727 - 4730
a	3.741 Å
b	17.187 Å
c	18.371 Å
α	90°
β	90°
γ	90°
Cell volume	1181.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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