Crystallography Open Database

Information card for entry 7119125

7119124 << 7119125 >> 7119126

Preview

Coordinates	7119125.cif
External links	PubChem

Structure parameters

Chemical name	naphthalene bridged naphthoxyl-imidazolyl radical complex
Formula	C35 H22 N2 O
Calculated formula	C35 H22 N2 O
SMILES	c1c2c3c(cccc3cc1)c1nc(c3ccccc3)c(c3ccccc3)n1[C@]12c2c(C(=O)C=C1)cccc2
Title of publication	Stealth fast photoswitching of negative photochromic naphthalene-bridged phenoxyl-imidazolyl radical complexes
Authors of publication	Katsuya Mutoh; Yoichi Kobayashi; Yasukazu Hirao; Takashi Kubo; Jiro Abe
Journal of publication	Chem.Commun.
Year of publication	2016
Journal volume	52
Pages of publication	6797
a	10.417 ± 0.003 Å
b	7.846 ± 0.003 Å
c	15.614 ± 0.005 Å
α	90°
β	109.024 ± 0.004°
γ	90°
Cell volume	1206.5 ± 0.7 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7119125.cif
185772	2016-08-12	cif/ Adding structures of 7119124, 7119125, 7119126, 7119127 via cif-deposit CGI script.	7119125.cif