Crystallography Open Database

Information card for entry 7247602

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Coordinates	7247602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H52 N2 O2
Calculated formula	C34 H52 N2 O2
Title of publication	Linker size dependent mechanical properties of di-imine based molecular crystals
Authors of publication	Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	46
Pages of publication	6416 - 6423
a	10.1433 ± 0.0012 Å
b	11.0854 ± 0.0013 Å
c	15.0978 ± 0.0018 Å
α	87.297 ± 0.005°
β	78.914 ± 0.005°
γ	89.006 ± 0.005°
Cell volume	1664 ± 0.3 Å³
Cell temperature	301 K
Ambient diffraction temperature	301 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	0.1377
Residual factor for significantly intense reflections	0.0888
Weighted residual factors for significantly intense reflections	0.2633
Weighted residual factors for all reflections included in the refinement	0.3116
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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