Crystallography Open Database

Information card for entry 7159100

Preview

Coordinates	7159100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 O2
Calculated formula	C18 H16 O2
SMILES	O(c1ccc(cc1)Cc1c(O)ccc2c1cccc2)C
Title of publication	Heterogeneous iron catalyst for C(1)-H functionalization of 2-naphthols with primary aromatic alcohols.
Authors of publication	Biswas, Subir; Barman, Dipankar; Gogoi, Gautam; Hoque, Nazimul; Devi, Arpita; Purkayastha, Siddhartha K.; Guha, Ankur Kanti; Nath, Jayanta K.; Bania, Kusum K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	8
Pages of publication	1657 - 1661
a	5.695 ± 0.003 Å
b	15.637 ± 0.008 Å
c	15.874 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	1413.6 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.2664
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.1763
Weighted residual factors for all reflections included in the refinement	0.2597
Goodness-of-fit parameter for all reflections included in the refinement	0.916
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
281558 (current)	2023-03-04	cif/ Updating files of 7159099, 7159100, 7159101, 7159102 Original log message: Adding full bibliography for 7159099--7159102.cif.	7159100.cif
280482	2023-01-21	cif/ Adding structures of 7159099, 7159100, 7159101, 7159102 via cif-deposit CGI script.	7159100.cif