Crystallography Open Database





Information card for 7015457

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Coordinates

7015457.cif

Structure parameters

Formula - C46 H44 N6 O4 -
Calculated formula - C46 H44 N6 O4 -
Title of publication Methoxy-substituted isoTQEN family for enhanced fluorescence response toward zinc ion.
Authors of publication Mikata, Yuji; Yamashita, Azusa; Kawata, Keiko; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi
Journal of publication Dalton transactions (Cambridge, England : 2003)
Year of publication 2011
Journal volume 40
Journal issue 16
Pages of publication 4059 - 4066
a 12.119 ± 0.0006 Å
b 17.016 ± 0.0009 Å
c 18.434 ± 0.0009 Å
α 90°
β 95.437 ± 0.002°
γ 90°
Cell volume 3784.3 ± 0.3 Å3
Cell temperature 173.1 K
Ambient diffraction temperature 173 ± 2 K
Number of distinct elements 4
Hermann-Mauguin symmetry space group C 1 2/c 1
Hall symmetry space group -C 2yc
Residual factor for observed reflections 0.0412
Weighted residual factors for all reflections included in the refinement 0.1112
Goodness-of-fit parameter for observed reflections 1.056
Diffraction radiation wavelength 0.7107 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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