Crystallography Open Database

Information card for entry 7702057

7702056 << 7702057 >> 7702058

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Coordinates	7702057.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MeO-oHBI
Chemical name	(Z)-5-(2-hydroxy-5-methoxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one
Formula	C13 H14 N2 O3
Calculated formula	C13 H14 N2 O3
Title of publication	Photophysics of GFP-related chromophores imposed by a scaffold design.
Authors of publication	Dolgopolova, E. A.; Moore, T. M.; Fellows, W. B.; Smith, M. D.; Shustova, N. B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	24
Pages of publication	9884 - 9891
a	13.5916 ± 0.0008 Å
b	11.5913 ± 0.0007 Å
c	7.3557 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1158.85 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233456 (current)	2019-11-23	cif/ Adding structures of 7702057, 7702058 via cif-deposit CGI script.	7702057.cif