Crystallography Open Database

Information card for entry 7001287

Preview

Coordinates	7001287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 N4 O2
Calculated formula	C26 H30 N4 O2
SMILES	c1(ccc2nc(CN(CCN(Cc3ccc4cc(ccc4n3)OC)C)C)ccc2c1)OC
Title of publication	Bisquinoline-based fluorescent zinc sensors
Authors of publication	Mikata, Yuji; Yamashita, Azusa; Kawamura, Ayano; Konno, Hideo; Miyamoto, Yuka; Tamotsu, Satoshi
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	19
Pages of publication	3800 - 3806
a	12.095 ± 0.004 Å
b	6.324 ± 0.002 Å
c	16.131 ± 0.005 Å
α	90°
β	110.249 ± 0.0015°
γ	90°
Cell volume	1157.6 ± 0.6 Å³
Cell temperature	173.1 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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