Crystallography Open Database

Information card for entry 1575429

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Coordinates	1575429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H28 N2 O4
Calculated formula	C40 H28 N2 O4
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	6.8429 ± 0.0006 Å
b	12.8769 ± 0.0012 Å
c	17.6451 ± 0.0016 Å
α	106.325 ± 0.004°
β	99.108 ± 0.004°
γ	96.639 ± 0.005°
Cell volume	1452.1 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1666
Residual factor for significantly intense reflections	0.0868
Weighted residual factors for significantly intense reflections	0.1593
Weighted residual factors for all reflections included in the refinement	0.1858
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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