Information card for entry 7130010

Structure parameters

• Formula: C27 H21 N O
• Calculated formula: C27 H21 N O
• SMILES: O1c2c3c(nc4c(c3ccc2C(C)(C)C)ccc2c4cccc2)c2c1cccc2
• Title of publication: DMSO-assisted environmentally benign synthesis of benzo[c]-chromeno[4,3,2-gh]phenanthridines by remote oxidative hetero cross-coupling cyclization and aromatization reaction
• Authors of publication: Yashmin, Sabina; Ali, Rashid; Mondal, Santa; Khan, Abu Taleb
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 8.9415 ± 0.0009 Å
• b: 20.8156 ± 0.0011 Å
• c: 11.0217 ± 0.0008 Å
• α: 90°
• β: 109.915 ± 0.009°
• γ: 90°
• Cell volume: 1928.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1397
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No