Crystallography Open Database

Information card for entry 1508656

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Structure parameters

Formula	C15 H19 N3 O2
Calculated formula	C15 H19 N3 O2
SMILES	O=C1N(C(=N/C1=C\c1cc(N(C)C)ccc1)C)CCO
Title of publication	Site-selective hydrogen-bonding-induced fluorescence quenching of highly solvatofluorochromic GFP-like chromophores.
Authors of publication	Huang, Guan-Jhih; Ho, Jinn-Hsuan; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	19
Pages of publication	5034 - 5037
a	9.4598 ± 0.0002 Å
b	7.6176 ± 0.0001 Å
c	10.0179 ± 0.0002 Å
α	90°
β	95.575 ± 0.002°
γ	90°
Cell volume	718.48 ± 0.02 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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