Crystallography Open Database

Information card for entry 7249868

Preview

Coordinates	7249868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 N O
Calculated formula	C19 H15 N O
Title of publication	Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore
Authors of publication	Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	10
Pages of publication	1420 - 1426
a	12.006 ± 0.002 Å
b	11.351 ± 0.002 Å
c	10.793 ± 0.002 Å
α	90°
β	101.67 ± 0.03°
γ	90°
Cell volume	1440.5 ± 0.5 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 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	0.075
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.1496
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.63 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298172 (current)	2025-03-04	cif/ Updating files of 7249862, 7249863, 7249864, 7249865, 7249866, 7249867, 7249868 Original log message: Adding full bibliography for 7249862--7249868.cif.	7249868.cif
297530	2025-01-30	cif/ Adding structures of 7249862, 7249863, 7249864, 7249865, 7249866, 7249867, 7249868 via cif-deposit CGI script.	7249868.cif