Crystallography Open Database

Information card for entry 4308428

Preview

Coordinates	4308428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 N2 O2
Calculated formula	C34 H24 N2 O2
SMILES	c1(ccccc1/C=N/c1ccc2ccccc2c1c1c(ccc2ccccc12)/N=C/c1c(cccc1)O)O
Title of publication	Novel Chiral "Calixsalen" Macrocycle and Chiral Robson-type Macrocyclic Complexes
Authors of publication	Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	2
Pages of publication	232 - 241
a	12.011 ± 0.004 Å
b	18.521 ± 0.007 Å
c	22.708 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	5052 ± 3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	0.945
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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