Sample Originator: Peter J. Hollimanb.
Data Collection: Graham J. Tizzarda
Structure Determination: Graham J. Tizzarda, Simon J. Colesa and Michael B. Hursthousea.
University of Southamptona
University of Wales, Bangorb
C27H21N1O1
InChI=1/2C27H21NO/c2*29-21-24-15-13-22(14-16-24)11-12-23-17-19-27(20-18-23)28(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h2*1-21H/b2*12-11+
| Identification Number: | 10.5258/ecrystals/1251 |
|---|
| Controlled Keywords: | chromophore |
|---|
| Date Created: | 03 February 2010 |
|---|
| Deposited On: | 16 Feb 2010 11:13 |
|---|
| Deposited By: | Dr G J Tizzard |
|---|
Data collection parameters
| Chemical formula | C27 H21 N O |
| Crystal morphology | Block |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 10.1895(10) |
| Cell length b | 11.4764(16) |
| Cell length c | 17.763(3) |
| Cell angle alpha | 102.487(5) |
| Cell angle beta | 96.931(8) |
| Cell angle gamma | 101.360(8) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1077 |
| R Factor (All) | 0.1912 |
| Weighted R Factor (Obs) | 0.2145 |
| Weighted R Factor (All) | 0.2550 |
Citation: Tizzard, Graham J. and Coles, Simon J. and Hursthouse, Michael B. and Holliman, Peter J. (2010) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1251)
Export as: oreChem EndNote BibTeX ASCII Citation
