Crystallography Open Database

Information card for entry 1507695

Preview

Coordinates	1507695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H90 O10 Se2
Calculated formula	C60 H90 O10 Se2
SMILES	[Se]([Se]c1ccccc1)c1ccccc1.C1C[C@H](C[C@H]2C[C@H]([C@@H]3[C@@H]([C@@]12C)C[C@@H]([C@]1([C@H]3CC[C@@H]1[C@H](C)CCC(=O)O)C)O)O)O.C1C[C@H](C[C@H]2C[C@H]([C@@H]3[C@@H]([C@@]12C)C[C@@H]([C@]1([C@H]3CC[C@@H]1[C@H](C)CCC(=O)O)C)O)O)O
Title of publication	Helicity discrimination in diaryl dichalcogenides generated by inclusion complexation with chiral hosts.
Authors of publication	Olszewska, Teresa; Nowak, Elżbieta; Gdaniec, Maria; Połoński, Tadeusz
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	10
Pages of publication	2568 - 2571
a	25.4161 ± 0.0006 Å
b	7.9247 ± 0.0003 Å
c	28.254 ± 0.0008 Å
α	90°
β	101.554 ± 0.002°
γ	90°
Cell volume	5575.5 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0556
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.116
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

Version history

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