Crystallography Open Database

Information card for entry 7129024

Preview

Coordinates	7129024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H41 N7
Calculated formula	C48 H41 N7
Title of publication	Azulene-based fluorescent chemosensor for adenosine diphosphate.
Authors of publication	López-Alled, Carlos M; Park, Sang Jun; Lee, Dong Joon; Murfin, Lloyd C.; Kociok-Köhn, Gabriele; Hann, Jodie L.; Wenk, Jannis; James, Tony D.; Kim, Hwan Myung; Lewis, Simon E.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	81
Pages of publication	10608 - 10611
a	13.6047 ± 0.0003 Å
b	9.8218 ± 0.0002 Å
c	29.367 ± 0.0011 Å
α	90°
β	100.398 ± 0.003°
γ	90°
Cell volume	3859.65 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	3
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	0.088
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1669
Weighted residual factors for all reflections included in the refinement	0.178
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
270357 (current)	2021-11-06	cif/ Updating files of 7129023, 7129024 Original log message: Adding full bibliography for 7129023--7129024.cif.	7129024.cif
269344	2021-09-29	cif/ Adding structures of 7129023, 7129024 via cif-deposit CGI script.	7129024.cif