Crystallography Open Database

Information card for entry 4519028

4519027 << 4519028 >> 4519029

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Coordinates	4519028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H59 B N4 O3
Calculated formula	C56 H59 B N4 O3
Title of publication	Tuning Alkyl Chain Lengths of Oxasmaragdyrins-B(OR)2 for Optimizing Hole-Transport and Efficiency in Perovskite Solar Cells
Authors of publication	Leonardus, Mario; Rameez, Mohammad; Wu, Wen-Ti; Hung, Chen-Hsiung
Journal of publication	ACS Applied Energy Materials
Year of publication	2021
Journal volume	4
Journal issue	9
Pages of publication	9090 - 9098
a	17.1942 ± 0.0011 Å
b	23.7369 ± 0.0013 Å
c	12.5316 ± 0.0015 Å
α	90°
β	114.558 ± 0.001°
γ	90°
Cell volume	4651.9 ± 0.7 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	5
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	0.0572
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1243
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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