Crystallography Open Database

Information card for entry 8000198

Preview

Coordinates	8000198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12.8 N4 O1.4
Calculated formula	C14 H12.8 N4 O1.4
Title of publication	Synthesized Blue Fluorescent Protein Analogue with Tunable Colors from Excited-State Intramolecular Proton Transfer through an N‒H···N Hydrogen Bond
Authors of publication	Fang, Xinxiu; Wang, Yan; Wang, Dan; Zhao, Guiyan; Zhang, Wenwen; Ren, Aimin; Wang, Haiyu; Xu, Jingwei; Gao, Bing-Rong; Yang, Wei
Journal of publication	The Journal of Physical Chemistry Letters
Year of publication	2014
Journal volume	5
Journal issue	1
Pages of publication	92
a	8.761 ± 0.002 Å
b	16.167 ± 0.005 Å
c	9.689 ± 0.003 Å
α	90°
β	108.314 ± 0.004°
γ	90°
Cell volume	1302.8 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 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	0.0658
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1234
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8000198.cif
176466	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000198.cif
104358	2014-03-10	cif/ Adding structures of 8000198 via cif-deposit CGI script.	8000198.cif