Crystallography Open Database

Information card for entry 7232510

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Coordinates	7232510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H76 N2 O5
Calculated formula	C52 H76 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	19.0707 ± 0.0009 Å
b	11.2605 ± 0.0005 Å
c	21.8074 ± 0.001 Å
α	90°
β	96.848 ± 0.003°
γ	90°
Cell volume	4649.6 ± 0.4 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	0.0509
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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