Crystallography Open Database

Information card for entry 1575430

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Coordinates	1575430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 N O2
Calculated formula	C20 H14 N O2
Title of publication	Sustainable mechanochemical approach for the selective synthesis of multicomponent organic solids: real-time in situ insights
Authors of publication	Feiler, Torvid; Emmerling, Franziska; Bhattacharya, Biswajit
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	37
Pages of publication	6184 - 6192
a	23.3375 ± 0.0012 Å
b	10.3912 ± 0.0005 Å
c	12.0372 ± 0.0006 Å
α	90°
β	95.933 ± 0.002°
γ	90°
Cell volume	2903.4 ± 0.3 Å³
Cell temperature	150.01 K
Ambient diffraction temperature	150.01 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1223
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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