Crystallography Open Database

Information card for entry 7161154

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Coordinates	7161154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H15 F2 N3
Calculated formula	C23 H15 F2 N3
Title of publication	Microwave-assisted, acetic acid-catalyzed, metal-free synthesis of 5<i>H</i>-pyrazino[2,3-<i>b</i>]indoles <i>via</i> sequential C-C and C-N bond formation.
Authors of publication	Dhar, Tiyasa; Bera, Debasish; Halder, Supriyo; Mukhopadhyay, Chhanda
Journal of publication	Organic & biomolecular chemistry
Year of publication	2026
Journal volume	24
Journal issue	15
Pages of publication	3266 - 3273
a	17.7739 ± 0.0011 Å
b	34.284 ± 0.002 Å
c	12.0723 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	7356.4 ± 0.8 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.234
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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