Crystallography Open Database

Information card for entry 4103771

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Structure parameters

Formula	C24 H36 N2 O2
Calculated formula	C24 H36 N2 O2
SMILES	C1(=N/C(=C\c2ccc(cc2)OCCCCCCCCCCCC)C(=O)N1C)C
Title of publication	Activation and Tuning of Green Fluorescent Protein Chromophore Emission by Alkyl Substituent-Mediated Crystal Packing
Authors of publication	Jian Dong; Kyril M. Solntsev; Laren M. Tolbert
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	662 - 670
a	7.4678 ± 0.0003 Å
b	10.2078 ± 0.0007 Å
c	15.4909 ± 0.0007 Å
α	85.971 ± 0.003°
β	85.619 ± 0.004°
γ	71.602 ± 0.004°
Cell volume	1115.91 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0557
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1349
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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