Crystallography Open Database

Information card for entry 7240210

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Coordinates	7240210.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Acridine bis(2-Methyl-5-(propan-2-yl)phenol)
Formula	C33 H37 N O2
Calculated formula	C33 H37 N O2
SMILES	Oc1cc(ccc1C)C(C)C.Oc1cc(ccc1C)C(C)C.n1c2c(cc3c1cccc3)cccc2
Title of publication	Systematic coformer contribution to cocrystal stabilization: energy and packing trends
Authors of publication	Mazzeo, Paolo Pio; Canossa, Stefano; Carraro, Claudia; Pelagatti, Paolo; Bacchi, Alessia
Journal of publication	CrystEngComm
Year of publication	2020
a	9.5596 ± 0.0004 Å
b	34.5438 ± 0.001 Å
c	9.0322 ± 0.0003 Å
α	90°
β	113.902 ± 0.005°
γ	90°
Cell volume	2726.9 ± 0.2 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0896
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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