Crystallography Open Database

Information card for entry 1572407

Preview

Coordinates	1572407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H26 O5
Calculated formula	C31 H26 O5
SMILES	Oc1c2c3c(c(O)ccc3cc1)C1c3c(O)ccc4c3c(c(O)cc4)C2c2c1cccc2.OC(C)C
Title of publication	Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.
Authors of publication	Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	36
Pages of publication	14968 - 14976
a	10.2376 ± 0.0007 Å
b	10.4837 ± 0.0006 Å
c	12.0766 ± 0.0007 Å
α	107.559 ± 0.003°
β	103.934 ± 0.003°
γ	103.55 ± 0.003°
Cell volume	1131.5 ± 0.13 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.0588
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
295182 (current)	2024-10-06	cif/ Updating files of 1572402, 1572403, 1572404, 1572405, 1572406, 1572407 Original log message: Adding full bibliography for 1572402--1572407.cif.	1572407.cif
294244	2024-08-29	cif/ Adding structures of 1572402, 1572403, 1572404, 1572405, 1572406, 1572407 via cif-deposit CGI script.	1572407.cif