Crystallography Open Database

Information card for entry 7232509

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Coordinates	7232509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H72 N2 O5
Calculated formula	C50 H72 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	18.4512 ± 0.0005 Å
b	10.2622 ± 0.0003 Å
c	25.1817 ± 0.0007 Å
α	90°
β	109.629 ± 0.0014°
γ	90°
Cell volume	4491.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0663
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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