Crystallography Open Database

Information card for entry 4513125

Preview

Coordinates	4513125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 N O4
Calculated formula	C23 H25 N O4
SMILES	c12c(c(c3c(c1C(=O)OCCC)cccc3)NC(=O)OC(C)(C)C)cccc2
Title of publication	Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State
Authors of publication	Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	5
Pages of publication	2291
a	9.4778 ± 0.0008 Å
b	9.5824 ± 0.0008 Å
c	21.3616 ± 0.0017 Å
α	90°
β	95.225 ± 0.001°
γ	90°
Cell volume	1932 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1163
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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