Crystallography Open Database

Information card for entry 7232508

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Coordinates	7232508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H80 N2 O5
Calculated formula	C54 H80 N2 O5
Title of publication	Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure
Authors of publication	Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	17
Pages of publication	2779
a	12.1746 ± 0.0009 Å
b	12.1005 ± 0.0009 Å
c	16.8114 ± 0.0012 Å
α	90°
β	103.777 ± 0.004°
γ	90°
Cell volume	2405.4 ± 0.3 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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