Crystallography Open Database

Information card for entry 1573862

Preview

Coordinates	1573862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 N O2
Calculated formula	C16 H15 N O2
SMILES	O=C1N(C(=O)c2c3c1cccc3ccc2)CCCC
Title of publication	Non-conjugated alkyl chain engineering to tune condensed state photophysical and supramolecular assembly properties.
Authors of publication	Meher, Niranjan; Khatun, Mst Nasima; Parui, Retwik; Iyer, Parameswar Krishnan
Journal of publication	Nanoscale
Year of publication	2025
Journal volume	17
Journal issue	11
Pages of publication	6685 - 6694
a	4.7154 ± 0.001 Å
b	12.531 ± 0.003 Å
c	22.215 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1312.7 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
298978 (current)	2025-04-05	cif/ Updating files of 1573856, 1573857, 1573858, 1573859, 1573860, 1573861, 1573862 Original log message: Adding full bibliography for 1573856--1573862.cif.	1573862.cif
297626	2025-02-07	cif/ Adding structures of 1573856, 1573857, 1573858, 1573859, 1573860, 1573861, 1573862 via cif-deposit CGI script.	1573862.cif