Crystallography Open Database

Information card for entry 7052116

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Structure parameters

Formula	C60 H62 Cl2 N2 O12
Calculated formula	C60 H62 Cl2 N2 O12
SMILES	O(c1ccc(C2C(c3cc[n+](c4c3cccc4)CC)C(C2c2cc[n+](c3c2cccc3)CC)c2ccc(OC)c(OC)c2)cc1OC)C.c1ccccc1.c1ccccc1.Cl(=O)(=O)(=O)[O-].c1ccccc1.Cl(=O)(=O)(=O)[O-]
Title of publication	4-Styrylquinolines: synthesis and study of [2 + 2]-photocycloaddition reactions in thin films and single crystals
Authors of publication	Lyudmila G. Kuz'mina; Artem I. Vedernikov; Natalia A. Lobova; Andrei V. Churakov; Judith A. K. Howard; Michael V. Alfimov; Sergey P. Gromov
Journal of publication	New Journal of Chemistry
Year of publication	2007
Journal volume	31
Journal issue	6
Pages of publication	980
a	11.023 ± 0.0004 Å
b	11.2484 ± 0.0004 Å
c	12.5132 ± 0.0005 Å
α	82.944 ± 0.002°
β	76.649 ± 0.002°
γ	61.394 ± 0.002°
Cell volume	1325.18 ± 0.09 Å³
Cell temperature	120 ± 0.2 K
Ambient diffraction temperature	120 ± 0.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0977
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1283
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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