Crystallography Open Database

Information card for entry 7159099

Preview

Coordinates	7159099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 O3
Calculated formula	C18 H16 O3
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	8.3525 ± 0.0007 Å
b	11.4569 ± 0.0009 Å
c	14.7293 ± 0.0011 Å
α	90°
β	90.936 ± 0.002°
γ	90°
Cell volume	1409.31 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0659
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0863
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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.	7159099.cif
280482	2023-01-21	cif/ Adding structures of 7159099, 7159100, 7159101, 7159102 via cif-deposit CGI script.	7159099.cif