Crystallography Open Database

Information card for entry 7131795

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Coordinates	7131795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 Br N3 O2
Calculated formula	C21 H24 Br N3 O2
Title of publication	Expedient (3+3)-annulation of <i>in situ</i> generated azaoxyallyl cations with diaziridines.
Authors of publication	Karjee, Pallab; Mandal, Santu; Debnath, Bijoy; Namdev, Nirali; Punniyamurthy, Tharmalingam
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	53
Pages of publication	8270 - 8273
a	16.8943 ± 0.0006 Å
b	9.1586 ± 0.0003 Å
c	13.1298 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2031.55 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	0.921
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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