Crystallography Open Database

Information card for entry 1572405

Preview

Coordinates	1572405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H16 D12 O6 S3
Calculated formula	C30 H16 D12 O6 S3
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	10.5199 ± 0.0002 Å
b	18.4144 ± 0.0003 Å
c	13.8648 ± 0.0003 Å
α	90°
β	98.763 ± 0.002°
γ	90°
Cell volume	2654.5 ± 0.09 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1256
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.208
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1572405.cif
294244	2024-08-29	cif/ Adding structures of 1572402, 1572403, 1572404, 1572405, 1572406, 1572407 via cif-deposit CGI script.	1572405.cif