Crystallography Open Database

Information card for entry 7161098

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Coordinates	7161098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 N4.36 O2.18
Calculated formula	C24 H16 N4.36364 O2.18182
Title of publication	Multicomponent domino synthesis of 6-azabicyclo[3.2.1]octanes and their cascade ring expansion toward 2-azabicyclo[4.3.1]decanes.
Authors of publication	Natarajan, Nithya; Mouttousadeappane, Dhanavardini; Gnanasambandam, Vasuki
Journal of publication	Organic & biomolecular chemistry
Year of publication	2026
Journal volume	24
Journal issue	12
Pages of publication	2469 - 2480
a	27.0007 ± 0.0018 Å
b	21.4303 ± 0.001 Å
c	9.5534 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5527.9 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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