Crystallography Open Database

Information card for entry 7225586

Preview

Coordinates	7225586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H22 N2 O2
Calculated formula	C29 H22 N2 O2
SMILES	n1c(/C=C/c2ccc(cc2)N(=O)=O)c2c(c3c1CCc1c3cccc1)CCc1c2cccc1
Title of publication	Highly emissive, naked-eye solvatochromic probe based on styryl tetrahydrodibenzo[a,i]phenanthridine for acidochromic applications
Authors of publication	Balijapalli, Umamahesh; Manickam, Saravanakumar; Thiyagarajan, Manojkumar Dhanthalu; Iyer, Sathiyanarayanan Kulathu
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	63
Pages of publication	58549
a	7.6171 ± 0.0009 Å
b	21.66 ± 0.003 Å
c	13.267 ± 0.0017 Å
α	90°
β	101.311 ± 0.004°
γ	90°
Cell volume	2146.4 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.084
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1688
Goodness-of-fit parameter for all reflections included in the refinement	1.241
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
183706 (current)	2016-06-18	cif/ Adding structures of 7225586 via cif-deposit CGI script.	7225586.cif