Crystallography Open Database

Information card for entry 7234632

Preview

Coordinates	7234632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 N3 O2
Calculated formula	C22 H21 N3 O2
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	4.6778 ± 0.0005 Å
b	34.671 ± 0.004 Å
c	11.6713 ± 0.0016 Å
α	90°
β	101.338 ± 0.006°
γ	90°
Cell volume	1856 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.1597
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1517
Goodness-of-fit parameter for all reflections included in the refinement	0.942
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7234632.cif