Crystallography Open Database

Information card for entry 3000450

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Structure parameters

Formula	C13 H10 N2 O3
Calculated formula	C13 H10 N2 O3
Title of publication	Mechanically-sensitive fluorochromism by molecular domino transformation in a Schiff base crystal
Authors of publication	Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Zhao, Yakai; Fujimoto, Yushi; Nishizawa, Tomohiro; Kalita, Nabadeep; Tsuzuki, Seiji; Ito, Fuyuki; Ramamurty, Upadrasta; Thakuria, Ranjit; Kurisu, Genji
Journal of publication	Journal of Materials Chemistry C
Year of publication	2024
Journal volume	12
Pages of publication	8508 - 8513
a	23.456 Å
b	3.811 Å
c	24.879 Å
α	90°
β	90°
γ	90°
Cell volume	2223.95 Å³
Cell temperature	79 K
Ambient diffraction temperature	79 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	0.1925
Residual factor for significantly intense reflections	0.1215
Weighted residual factors for significantly intense reflections	0.2878
Weighted residual factors for all reflections included in the refinement	0.3097
Goodness-of-fit parameter for all reflections included in the refinement	0.902
Diffraction radiation wavelength	0.02508 Å
Diffraction radiation type	electrons
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299431 (current)	2025-04-28	Adding XRDa links to the COD entries 3000450 and 3000451 as indicated in the depositor's 2024-06-27 09:14 e-mail. cif/ (saulius@pterodaktilis)	3000450.cif
292618	2024-06-27	cif/ Updating files of 3000450 Original log message: Releasing structure 3000450 into public domain as published material.	3000450.cif
285081	2023-07-07	cif/ Adding structures of 3000450 via cif-deposit CGI script.	3000450.cif