Crystallography Open Database

Information card for entry 7236772

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Coordinates	7236772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H88 N4 O10
Calculated formula	C47 H84 N4 O10
Title of publication	Dual fluorescent zwitterionic organogels of a quinoxalinone derivative using cation‒anion detection keys
Authors of publication	Nakane, Yuta; Takeda, Takashi; Hoshino, Norihisa; Sakai, Ken-ichi; Akutagawa, Tomoyuki
Journal of publication	Journal of Materials Chemistry C
Year of publication	2017
Journal volume	5
Journal issue	25
Pages of publication	6234
a	8.09104 ± 0.00019 Å
b	16.5137 ± 0.0004 Å
c	37.7683 ± 0.0011 Å
α	90.978 ± 0.0013°
β	95.1588 ± 0.0014°
γ	90.1324 ± 0.0012°
Cell volume	5025.1 ± 0.2 Å³
Cell temperature	89 K
Ambient diffraction temperature	89 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.227
Residual factor for significantly intense reflections	0.133
Weighted residual factors for significantly intense reflections	0.3109
Weighted residual factors for all reflections included in the refinement	0.3768
Goodness-of-fit parameter for all reflections included in the refinement	0.969
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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