Information card for entry 2211802

Structure parameters

• Common name: cyheptamide
• Chemical name: 10,11-dihydro-5H-dibenz[a,d]cycloheptene-5-carboxamide
• Formula: C16 H15 N O
• Calculated formula: C16 H15 N O
• SMILES: O=C(C1c2c(CCc3ccccc13)cccc2)N
• Title of publication: A low-temperature redetermination of cyheptamide
• Authors of publication: Leech, Charlotte K.; Florence, Alastair J.; Shankland, Kenneth; Shankland, Norman; Johnston, Andrea
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o205 - o206
• a: 5.6035 ± 0.0007 Å
• b: 9.1716 ± 0.0011 Å
• c: 23.579 ± 0.003 Å
• α: 90°
• β: 96.752 ± 0.012°
• γ: 90°
• Cell volume: 1203.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes