Crystallography Open Database

Information card for entry 4518838

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Coordinates	4518838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H22
Calculated formula	C34 H22
Title of publication	Stimuli-Responsive Trimorphs and Charge-Transfer Complexes of a Twisted Molecular Donor.
Authors of publication	Barman, Debasish; Gopikrishna, Peddaboodi; Iyer, Parameswar Krishnan
Journal of publication	Langmuir : the ACS journal of surfaces and colloids
Year of publication	2021
a	10.7705 ± 0.0019 Å
b	17.623 ± 0.003 Å
c	23.643 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4487.6 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	2
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1612
Goodness-of-fit parameter for all reflections included in the refinement	0.878
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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