Crystallography Open Database

Information card for entry 7234631

Preview

Coordinates	7234631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 N3 O2
Calculated formula	C19 H15 N3 O2
SMILES	o1c(nc2c1cccc2)c1ccc(cc1)/C=C1\N=C(N(C1=O)C)C
Title of publication	Effects of the benzoxazole group on green fluorescent protein chromophore crystal structure and solid state photophysics
Authors of publication	Abdelhamid Ghodbane; W. Brett Fellows; John R. Bright; Debashree Ghosh; Nathalie Saffon; Laren M. Tolbert; Suzanne Fery-Forgues; Kyril M. Solntsev
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	2793 - 2801
a	7.558 ± 0.002 Å
b	13.561 ± 0.003 Å
c	14.948 ± 0.004 Å
α	88.586 ± 0.011°
β	88.421 ± 0.012°
γ	89.548 ± 0.011°
Cell volume	1531 ± 0.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.2605
Residual factor for significantly intense reflections	0.1283
Weighted residual factors for significantly intense reflections	0.2928
Weighted residual factors for all reflections included in the refinement	0.362
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
219361 (current)	2019-10-15	cif/ Adding structures of 7234631, 7234632, 7234633, 7234634 via cif-deposit CGI script.	7234631.cif