Crystallography Open Database

Information card for entry 4508206

Preview

Coordinates	4508206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 N2 O
Calculated formula	C27 H20 N2 O
SMILES	O=C(N1N=C(CC1c1ccc2c3c4c(cc2)cccc4ccc13)c1ccccc1)C
Title of publication	Regulation of Arrangements of Pyrene Fluorophores via Solvates and Cocrystals for Fluorescence Modulation
Authors of publication	Feng, Qi; Wang, Mingliang; Dong, Baoli; He, Jing; Xu, Chunxiang
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	10
Pages of publication	4418
a	30.305 ± 0.006 Å
b	8.042 ± 0.0016 Å
c	21.397 ± 0.004 Å
α	90°
β	129.08 ± 0.03°
γ	90°
Cell volume	4048 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1367
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1317
Weighted residual factors for all reflections included in the refinement	0.1572
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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