Supporting Information - Dissertation
Published: 3 April 2023| Version 1 | DOI: 10.17632/dpc3v9tvsm.1
PorphyStruct is a digital tool for the quantitative analysis of porphyrinoid structures. Results used in my Dissertation are merged into this single excel file which was used to create all figures shown in Part 1 using the PorphyStruct Python Scripts. Detailed results are discussed in my dissertation.
Steps to reproduce
1. With CSD Conquest all files matching the structural motifs of Corroles, Norcorroles, Porphycenes and Corrphycenes were downloaded as mol2-Files 2. With the FileClassification Tool, all Files were classified and than validated by hand. 3. PorphyStruct (V 2.0) Batch Processing was used with the extended Basis to generate Data 4. Data was merged into Excel file using the PorphyStruct Python Scripts
Technische Universitat Carolo Wilhelmina zu Braunschweig Institut fur Anorganische und Analytische Chemie
Chemistry, Inorganic Chemistry, Porphyrins, Structural Analysis