Crystallography Open Database

Information card for entry 7232086

7232085 << 7232086 >> 7232087

Preview

Coordinates	7232086.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3-(tert-butyl)-2H-naphtho[1,8-bc]furan-2-one
Formula	C15 H14 O2
Calculated formula	C15 H14 O2
Title of publication	O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres
Authors of publication	Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	6
Pages of publication	1009
a	14.073 ± 0.0006 Å
b	6.8273 ± 0.0004 Å
c	12.0491 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1157.68 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation probe	x-ray
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
223595 (current)	2019-11-07	cif/ Updating files of 7232086, 7232087, 7232088, 7232089, 7232090, 7232091, 7232092, 7232093, 7232094, 7232095, 7232096, 7232097, 7232098, 7232099 Original log message: Adding full bibliography for 7232086--7232099.cif.	7232086.cif
212924	2019-01-11	cif/ Adding structures of 7232086, 7232087, 7232088, 7232089, 7232090, 7232091, 7232092, 7232093, 7232094, 7232095, 7232096, 7232097, 7232098, 7232099 via cif-deposit CGI script.	7232086.cif